CFam Chemical Families Database
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You are searching for "CFAMM00396813" in compound.

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CFAM Mol ID CFAMM00396813
Family CFFBM9608 Gastrin/cholecystokinin type B receptor ligand 3-[[5-[2-(1-adamantyl)ethyl]-2-(1-methylcyclohexyl)-1H-imidazole-4-carbonyl]amino]benzoic acid family
Superfamily CFSBM4900 Gastrin/cholecystokinin type B receptor Binder Superfamily
Class CFCBM1678 Class 4728
External ID CHEMBL426290 External Source CHEMBL
PubChem CID 11518283 Functional Category Bioactive
Molecule Name 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carbonyl]amino]benzoic acid
IUPAC Name 3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carbonyl]amino]benzoic acid
Synonyms AGN-PC-00AQE4;SureCN6158220;3-[[5-[2-(1-adamantyl)ethyl]-2-cyclopentyl-1H-imidazole-4-carbonyl]amino]benzoic Acid
InChi InChI=1S/C28H35N3O3/c32-26(29-22-7-3-6-21(13-22)27(33)34)24-23(30-25(31-24)20-4-1-2-5-20)8-9-28-14-17-10-18(15-28)12-19(11-17)16-28/h3,6-7,13,17-20H,1-2,4-5,8-12,14-16H2,(H,29,32)(H,30,31)(H,33,34)
InChiKey SWOWFWBJUIRCIU-UHFFFAOYSA-N
Formula C28H35N3O3 Molecular Weight 461.60
Cross Link CHEMBL426290
Structure

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).
 

Last update by

 
2014.08.29
 

 

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Dr. Chen Yuzong

Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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