BRD7929 - Moligand™ , CAS No.1771650-41-9

CAS: 1771650-41-9 Cat. No.: B608211 PubChem CID: 118065266

グレード＆純度 Moligand™

Storage

Room temperature

仕様

仕様と純度

Moligand™

保管条件

Room temperature

等級

Moligand™

名前と識別子

カノニカル・スマイル

COc1ccc(cc1)NC(=O)N1CCCCN2[C@@H](C1)[C@H]([C@H]2CN(C)C)c1ccc(cc1)C#Cc1ccccc1

IUPAC Name

(8R,9S,10S)-10-[(dimethylamino)methyl]-N-(4-methoxyphenyl)-9-[4-(2-phenylethynyl)phenyl]-1,6-diazabicyclo[6.2.0]decane-6-carboxamide

InChIKey

VKRCTZCBMKVHCK-RTOKGZNSSA-N

INCHI

1S/C33H38N4O2/c1-35(2)23-30-32(27-15-13-26(14-16-27)12-11-25-9-5-4-6-10-25)31-24-36(21-7-8-22-37(30)31)33(38)34-28-17-19-29(39-3)20-18-28/h4-6,9-10,13-20,30-32H,7-8,21-24H2,1-3H3,(H,34,38)/t30-,31+,32+/m1/s1

異性体SMILES

CN(C)C[C@@H]1[C@@H]([C@H]2N1CCCCN(C2)C(=O)NC3=CC=C(C=C3)OC)C4=CC=C(C=C4)C#CC5=CC=CC=C5

PubChem CID

118065266

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 分類 Azetidines
      • Subclass Phenylazetidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: Azetidines
• Subclass: Phenylazetidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylazetidines
• Alternative Parents: N-phenylureas Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-phenylazetidine - N-phenylurea - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Tertiary aliphatic amine - Tertiary amine - Carbonic acid derivative - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
• 説明: This compound belongs to the class of organic compounds known as phenylazetidines. These are polycyclic aromatic compounds containing a phenyl ring substituted with an azetidine ring.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

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作用メカニズム