CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00306940" in compound.

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CFAM Mol ID CFAMM00306940
Family CFFBM87 Endothelin-1 receptor and Endothelin B receptor ligand (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-but-3-enyl-7-(4-methoxyphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid family
Superfamily CFSBM61 Endothelin-1 receptor and Endothelin B receptor Binder Superfamily
Class CFCBM24 Class 3074
External ID CHEMBL305576 External Source CHEMBL
PubChem CID 186002 Functional Category Bioactive
Molecule Name (5s,6r,7r)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-{2-[(2s)-2-carboxypropyl]-4-methoxyphenyl}-6,7-dihydro-5h-cyclopenta[b]pyridine-6-carboxylic acid
IUPAC Name (5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-2-carboxypropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid
Synonyms 224448-58-2;(5S,6R,7R)-5-(1,3-benzodioxol-5-yl)-2-butyl-7-[2-[(2S)-3-hydroxy-2-methyl-3-oxopropyl]-4-methoxyphenyl]-6,7-dihydro-5H-cyclopenta[b]pyridine-6-carboxylic acid;AC1L4HXJ;J-104132;L 753037;AC1Q5QI1;SureCN6439800;CTK4E9518;CHEBI:194041
InChi InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1
Formula C31H33NO7 Molecular Weight 531.60
Cross Link CHEMBL305576

Statistics of CFAM Database

CFAM currently contains 490,279 molecules in 87,136 families, 34,880 superfamilies and 11,643 classes.

How to cite our database

C. Zhang, L. Tao, C. Qin, P. Zhang, S.Y. Chen, X. Zeng, F. Xu, Z. Chen, S.Y. Yang and Y.Z. CFam: A Chemical Families Database Based on Iterative Selection of Functional Seeds and Seed-Directed Compound Clustering. Nucl. Acids Res. 43 (D1): D558-D565 (2015) (First published online: November 20, 2014).

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