congenital nervous system abnormality (DOID:2490)

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  1. Olmutinib, Epidermal growth factor receptor erbB1 inhibitor
    CAS: 1353550-13-6 Formula: C26H26N6O2S Molecular Weight: 486.59
    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 #: O173511
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    IUPAC Name
    N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
    SMILES
    CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4
    InChIKey
    FDMQDKQUTRLUBU-UHFFFAOYSA-N
    InChI
    1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,show more
    Synonyms
    Example 1 [US20130116213] | DTXSID001319119 | FT-0615010 | SOTALOL HYDROCHLORIDE (USP-RS) | 4-{[4-({[(1R,2S)-2-Phenyl...
  2. Fruquintinib, Vascular endothelial growth factor receptor inhibitor
    CAS: 1194506-26-7 EC Number: 962-485-3 Formula: C21H19N3O5 Molecular Weight: 393.39
    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 #: F302543
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    IUPAC Name
    6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
    SMILES
    CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC
    InChIKey
    BALLNEJQLSTPIO-UHFFFAOYSA-N
    InChI
    1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
    Synonyms
    6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide | NSC801000 | NSC-801000 | C71641 | WHO 10...
  3. KB SRC 4
    CAS: 1380088-03-8 Formula: C32H23ClN8 Molecular Weight: 555.03
    In Stock Item #: K288228
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    IUPAC Name
    3-(4-chlorophenyl)-1-[3-[3-[(3-phenylphenyl)methyl]triazol-4-yl]phenyl]pyrazolo[3,4-d]pyrimidin-4-amine
    SMILES
    C1=CC=C(C=C1)C2=CC=CC(=C2)CN3C(=CN=N3)C4=CC(=CC=C4)N5C6=NC=NC(=C6C(=N5)C7=CC=C(C=C7)Cl)N
    InChIKey
    UHIZYQVRKSWIFO-UHFFFAOYSA-N
    InChI
    1S/C32H23ClN8/c33-26-14-12-23(13-15-26)30-29-31(34)35-20-36-32(29)41(38-30)27-11-5-10-25(17-27)28-18-37-39-40(28)19-21-6-4-9-24(16-21)22-7-2-1-3-8-22/show more
    Synonyms
    1-[3-[1-([1,1'-Biphenyl]-3-ylmethyl)-1H-1,2,3-triazol-5-yl]phenyl]-3-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-a...
  4. Fruquintinib, Vascular endothelial growth factor receptor inhibitor
    CAS: 1194506-26-7 EC Number: 962-485-3 Formula: C21H19N3O5 Molecular Weight: 393.39
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: F420858
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    Technical Identifiers
    IUPAC Name
    6-(6,7-dimethoxyquinazolin-4-yl)oxy-N,2-dimethyl-1-benzofuran-3-carboxamide
    SMILES
    CC1=C(C2=C(O1)C=C(C=C2)OC3=NC=NC4=CC(=C(C=C43)OC)OC)C(=O)NC
    InChIKey
    BALLNEJQLSTPIO-UHFFFAOYSA-N
    InChI
    1S/C21H19N3O5/c1-11-19(20(25)22-2)13-6-5-12(7-16(13)28-11)29-21-14-8-17(26-3)18(27-4)9-15(14)23-10-24-21/h5-10H,1-4H3,(H,22,25)
    Synonyms
    6-((6,7-dimethoxyquinazolin-4-yl)oxy)-N,2-dimethylbenzofuran-3-carboxamide | NSC801000 | NSC-801000 | C71641 | WHO 10...
  5. Olmutinib, Epidermal growth factor receptor erbB1 inhibitor
    CAS: 1353550-13-6 Formula: C26H26N6O2S Molecular Weight: 486.59
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10mM in DMSO
    In Stock Item #: O421342
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    Technical Identifiers
    IUPAC Name
    N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
    SMILES
    CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4
    InChIKey
    FDMQDKQUTRLUBU-UHFFFAOYSA-N
    InChI
    1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,show more
    Synonyms
    Example 1 [US20130116213] | DTXSID001319119 | FT-0615010 | SOTALOL HYDROCHLORIDE (USP-RS) | 4-{[4-({[(1R,2S)-2-Phenyl...
  6. AZD1332, Inhibitor of neurotrophic receptor tyrosine kinase 1;Inhibitor of neurotrophic receptor tyrosine kinase 2;Inhibitor of neurotrophic receptor tyrosine kinase 3
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools.
    Out of Stock Item #: A607855
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    IUPAC Name
    5-chloro-2-N-[1-(5-fluoropyridin-2-yl)ethyl]-4-N-(3-propan-2-yloxy-1H-pyrazol-5-yl)pyrimidine-2,4-diamine
    SMILES
    CC(Oc1n[nH]c(c1)Nc1nc(ncc1Cl)NC(c1ccc(cn1)F)C)C
    InChIKey
    LBVKEEFIPBQIMD-UHFFFAOYSA-N
    InChI
    1S/C17H19ClFN7O/c1-9(2)27-15-6-14(25-26-15)23-16-12(18)8-21-17(24-16)22-10(3)13-5-4-11(19)7-20-13/h4-10H,1-3H3,(H3,21,22,23,24,25,26)
    Synonyms
    AZD 1332;AZD-1332
  7. N-(furan-2-ylmethyl)-2-nitro-5-piperazin-1-ylaniline
    CAS: 347310-73-0 PubChem CID: 2771419 Formula: C15H18N4O3 Molecular Weight: 302.33
    Out of Stock Item #: N668720
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    IUPAC Name
    N-(furan-2-ylmethyl)-2-nitro-5-piperazin-1-ylaniline
    SMILES
    C1CN(CCN1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CO3
    InChIKey
    KDQLWCWVKPPGQU-UHFFFAOYSA-N
    InChI
    1S/C15H18N4O3/c20-19(21)15-4-3-12(18-7-5-16-6-8-18)10-14(15)17-11-13-2-1-9-22-13/h1-4,9-10,16-17H,5-8,11H2
    Synonyms
    (2-Furylmethyl)(2-nitro-5-piperazin-1-ylphenyl)amine | N-(furan-2-ylmethyl)-2-nitro-5-(piperazin-1-yl)aniline | N-(fu...
  8. KB SRC 4
    CAS: 1380088-03-8 Formula: C32H23ClN8 Molecular Weight: 555.03
    Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. 10 mM in DMSO
    Out of Stock Item #: K1494116
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