neural tube defect (DOID:0080074)

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  1. GW 590735, Peroxisome proliferator-activated receptor alpha agonist
    CAS: 622402-22-6 Formula: C23H21F3N2O4S Molecular Weight: 478.48
    In Stock Item #: G275270
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    IUPAC Name
    2-methyl-2-[4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carbonyl]amino]methyl]phenoxy]propanoic acid
    SMILES
    CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)C(=O)NCC3=CC=C(C=C3)OC(C)(C)C(=O)O
    InChIKey
    ILUPZUOBHCUBKB-UHFFFAOYSA-N
    InChI
    1S/C23H21F3N2O4S/c1-13-18(33-20(28-13)15-6-8-16(9-7-15)23(24,25)26)19(29)27-12-14-4-10-17(11-5-14)32-22(2,3)21(30)31/h4-11H,12H2,1-3H3,(H,27,29)(H,30,show more
    Synonyms
    HMS3650D07 | DB07215 | QKY617BBX5 | EX-A5892 | ILUPZUOBHCUBKB-UHFFFAOYSA-N | 2-methyl-2-{4-[({4-methyl-2-[4-(trifluor...
  2. NADA (N-Arachidonyldopamine), Channel blocker of TRPM8;Channel blocker of TRPV1
    CAS: 199875-69-9 PubChem CID: 5282105 Formula: C28H41NO3 Molecular Weight: 439.63
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: N275117
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    IUPAC Name
    (5Z,8Z,11Z,14Z)-N-[2-(3,4-dihydroxyphenyl)ethyl]icosa-5,8,11,14-tetraenamide
    SMILES
    CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCC1=CC(=C(C=C1)O)O
    InChIKey
    MVVPIAAVGAWJNQ-DOFZRALJSA-N
    InChI
    1S/C28H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-28(32)29-23-22-25-20-21-26(30)27(31)24-25/h6-7,9-10,12-13,15-16,20-21,24,30-31H,2-5,8,11show more
    Synonyms
    5,8,11,14-EICOSATETRAENAMIDE, N-(2-(3,4-DIHYDROXYPHENYL)ETHYL)-, (5Z,8Z,11Z,14Z)- | SR-01000946639 | Q3869319 | AA-DA...
  3. NAEPA, Agonist of LPA 1 receptor;Agonist of LPA 2 receptor;Agonist of LPA 3 receptor
    CAS: 24435-25-4 PubChem CID: 44343825 Formula: C20H40NO5P Molecular Weight: 405.51
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: N347152
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    2-[[(Z)-octadec-9-enoyl]amino]ethyl dihydrogen phosphate
    SMILES
    CCCCCCCCC=CCCCCCCCC(=O)NCCOP(=O)(O)O
    InChIKey
    BCSUWOZFWWBYSX-KTKRTIGZSA-N
    InChI
    1S/C20H40NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(22)21-18-19-26-27(23,24)25/h9-10H,2-8,11-19H2,1H3,(H,21,22)(H2,23,24,25)/b10-9-
    Synonyms
    J-015527 | N-oleoylethanolamine phosphate | (Z)-2-Oleamidoethyl dihydrogen phosphate | BDBM50074700 | HY-128127 | SCH...
  4. Tamoxifen, Agonist of Estrogen receptor-α;Antagonist of Estrogen receptor-α;Agonist of Estrogen receptor-β;Antagonist of Estrogen receptor-β;Agonist of GPER
    CAS: 10540-29-1 EC Number: 234-118-0 Formula: C26H29NO Molecular Weight: 371.51
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥99%(HPLC)
    In Stock Item #: T137975
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    IUPAC Name
    2-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
    SMILES
    CCC(=C(C1=CC=CC=C1)C2=CC=C(C=C2)OCCN(C)C)C3=CC=CC=C3
    InChIKey
    NKANXQFJJICGDU-QPLCGJKRSA-N
    InChI
    1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
    Synonyms
    (Z)-Tamoxifen | ICI 47699 | trans-Tamoxifen
  5. (±)-Eriodictyol, Agonist of TAS2R14
    CAS: 4049-38-1 EC Number: 800-080-4 Formula: C15H12O6 Molecular Weight: 288.26
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    Out of Stock Item #: E286734
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    IUPAC Name
    2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-2,3-dihydrochromen-4-one
    SMILES
    C1C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
    InChIKey
    SBHXYTNGIZCORC-UHFFFAOYSA-N
    InChI
    1S/C15H12O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-5,13,16-19H,6H2
    Synonyms
    BDBM69393 | NCGC00096019-03 | AKOS024284394 | (+/-)-5,7,3',4'-Tetrahydroxyflavanone | HMS2270F17 | SCHEMBL2309591 | 3...
  6. cis-Capsaicin, Vanilloid receptor agonist
    CAS: 25775-90-0 EC Number: 636-760-0 Formula: C18H27NO3 Molecular Weight: 305.42
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
    In Stock Item #: C346860
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    IUPAC Name
    (Z)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide
    SMILES
    CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC
    InChIKey
    YKPUWZUDDOIDPM-VURMDHGXSA-N
    InChI
    1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6-
    Synonyms
    AC-31789 | HMS2051O07 | CHEBI:135952 | MLS000758306 | ZUCAPSAICIN [INN] | NCGC00017337-01 | (6Z)-N-[(4-hydroxy-3-meth...
  7. Piperacetazine
    CAS: 3819-00-9 EC Number: 223-312-0 PubChem CID: 19675 Formula: C24H30N2O2S Molecular Weight: 410.57
    Solid Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    Out of Stock Item #: P339953
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    IUPAC Name
    1-[10-[3-[4-(2-hydroxyethyl)piperidin-1-yl]propyl]phenothiazin-2-yl]ethanone
    SMILES
    CC(=O)C1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCC(CC4)CCO
    InChIKey
    BTFMCMVEUCGQDX-UHFFFAOYSA-N
    InChI
    1S/C24H30N2O2S/c1-18(28)20-7-8-24-22(17-20)26(21-5-2-3-6-23(21)29-24)13-4-12-25-14-9-19(10-15-25)11-16-27/h2-3,5-8,17,19,27H,4,9-16H2,1H3
    Synonyms
    HMS2230G17 | SR-01000841199 | 1-(10-{3-[4-(2-hydroxyethyl)-1-piperidinyl]propyl}-10H-phenothiazin-2-yl)ethanone | 1-(...
  8. TM 38837, Antagonist of CB 1 receptor;Antagonist of CB 2 receptor
    CAS: 1253641-65-4 PubChem CID: 49779607 Formula: C30H25Cl2F3N4OS Molecular Weight: 617.51
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%(HPLC)
    Out of Stock Item #: T287414
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    IUPAC Name
    1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-5-[5-[2-[4-(trifluoromethyl)phenyl]ethynyl]thiophen-2-yl]pyrazole-3-carboxamide
    SMILES
    CCC1=C(N(N=C1C(=O)NN2CCCCC2)C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(S4)C#CC5=CC=C(C=C5)C(F)(F)F
    InChIKey
    VQOCBFYUDSBDCZ-UHFFFAOYSA-N
    InChI
    1S/C30H25Cl2F3N4OS/c1-2-23-27(29(40)37-38-16-4-3-5-17-38)36-39(25-14-11-21(31)18-24(25)32)28(23)26-15-13-22(41-26)12-8-19-6-9-20(10-7-19)30(33,34)35/hshow more
    Synonyms
    Q7670627 | 1-(2,4-dichlorophenyl)-4-ethyl-N-piperidin-1-yl-5-[5-[2-[4-(trifluoromethyl)phenyl]ethynyl]thiophen-2-yl]p...
  9. SB705498, Vanilloid receptor antagonist
    CAS: 501951-42-4 PubChem CID: 9910486 Formula: C17H16BrF3N4O Molecular Weight: 429.23
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: S126833
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    IUPAC Name
    1-(2-bromophenyl)-3-[(3R)-1-[5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-yl]urea
    SMILES
    C1CN(CC1NC(=O)NC2=CC=CC=C2Br)C3=NC=C(C=C3)C(F)(F)F
    InChIKey
    JYILLRHXRVTRSH-GFCCVEGCSA-N
    InChI
    1S/C17H16BrF3N4O/c18-13-3-1-2-4-14(13)24-16(26)23-12-7-8-25(10-12)15-6-5-11(9-22-15)17(19,20)21/h1-6,9,12H,7-8,10H2,(H2,23,24,26)/t12-/m1/s1
    Synonyms
    (R)-1-(2-bromophenyl)-3-(1-(5-(trifluoromethyl)pyridin-2-yl)pyrrolidin-3-yl)urea | AC-32677 | HY-10633 | 1-(2-bromoph...
  10. SCH 221510, Agonist of δ receptor;Agonist of κ receptor;Agonist of μ receptor;Agonist of NOP receptor
    CAS: 322473-89-2 PubChem CID: 9887077 Formula: C28H31NO Molecular Weight: 397.55
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: S287959
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    IUPAC Name
    8-[bis(2-methylphenyl)methyl]-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol
    SMILES
    CC1=CC=CC=C1C(C2=CC=CC=C2C)N3C4CCC3CC(C4)(C5=CC=CC=C5)O
    InChIKey
    LOSJNRBXNQTUNT-UHFFFAOYSA-N
    InChI
    1S/C28H31NO/c1-20-10-6-8-14-25(20)27(26-15-9-7-11-21(26)2)29-23-16-17-24(29)19-28(30,18-23)22-12-4-3-5-13-22/h3-15,23-24,27,30H,16-19H2,1-2H3
    Synonyms
    8-(dio-tolylmethyl)-3-phenyl-8-azabicyclo[3.2.1]octan-3-ol | GTPL8868 | AKOS024457501 | 8-[bis(2-methylphenyl)methyl]...
  11. Genistein, Activator of CFTR;Agonist of Estrogen receptor-β;Agonist of Estrogen-related receptor-α;Agonist of Estrogen-related receptor-β;Agonist of Estrogen-related receptor-γ;Agonist of TAS2R14;Agonist of TAS2R39;Activator of TRPC5
    CAS: 446-72-0 EC Number: 207-174-9 Formula: C15H10O5 Molecular Weight: 270.24
    Analytical standard ? Analytical standard — certified-purity material for quantitative calibration. Use to prepare calibration standards and validate analytical methods. Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥98%
    In Stock Item #: G106672
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    IUPAC Name
    5,7-dihydroxy-3-(4-hydroxyphenyl)chromen-4-one
    SMILES
    C1=CC(=CC=C1C2=COC3=CC(=CC(=C3C2=O)O)O)O
    InChIKey
    TZBJGXHYKVUXJN-UHFFFAOYSA-N
    InChI
    1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
    Synonyms
    cid_5280961 | GTPL2826 | BRN 0263823 | DH2M523P0H | MolMap_000022 | GENISTEIN (USP-RS) | Differenol A | GENISTEIN [MI...
  12. MLN0905, Inhibitor of polo like kinase 1
    CAS: 1228960-69-7 Formula: C24H25F3N6S Molecular Weight: 486.56
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥97%
    In Stock Item #: M126487
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    IUPAC Name
    2-[[5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl]amino]-9-(trifluoromethyl)-5,7-dihydropyrimido[5,4-d][1]benzazepine-6-thione
    SMILES
    CC1=C(C=C(C=N1)CCCN(C)C)NC2=NC=C3CC(=S)NC4=C(C3=N2)C=CC(=C4)C(F)(F)F
    InChIKey
    CODBZFJPKJDNDT-UHFFFAOYSA-N
    InChI
    1S/C24H25F3N6S/c1-14-19(9-15(12-28-14)5-4-8-33(2)3)31-23-29-13-16-10-21(34)30-20-11-17(24(25,26)27)6-7-18(20)22(16)32-23/h6-7,9,11-13H,4-5,8,10H2,1-3Hshow more
    Synonyms
    2-(5-(3-(DIMETHYLAMINO)PROPYL)-2-METHYLPYRIDIN-3-YLAMINO)-9-(TRIFLUOROMETHYL)-5H-BENZO[B]PYRIMIDO[4,5-D]AZEPINE-6(7H)...
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