CFam Chemical Families Database
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You are searching for "CFAMM00396356" in compound.

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CFAM Mol ID CFAMM00396356
Family CFFBM9540 Type-1 angiotensin II receptor and Type-2 angiotensin II receptor ligand 2-[4-[[6-[(2-methoxyphenyl)methylcarbamoyl]-4-methyl-2-propylbenzimidazol-1-yl]methyl]phenyl]benzoic acid family
Superfamily CFSBM1014 Type-1 angiotensin II receptor and Coagulation factor X Binder Superfamily
Class CFCCD443 Class 1256
External ID CHEMBL553328 External Source CHEMBL
PubChem CID 45265693 Functional Category Bioactive
Molecule Name AGN-PC-07C2NU
IUPAC Name 4-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]carbamoyl]benzoic acid;dihydrochloride
Synonyms 4-[[5-carbamimidoyl-1-[2-(cyclohexylamino)-2-oxoethyl]benzimidazol-2-yl]methyl-[4-(1-ethanimidoylpyrrolidin-3-yl)oxyphenyl]carbamoyl]benzoic acid;dihydrochloride
InChi InChI=1S/C37H42N8O5.2ClH/c1-23(38)43-18-17-30(20-43)50-29-14-12-28(13-15-29)44(36(47)24-7-9-25(10-8-24)37(48)49)21-33-42-31-19-26(35(39)40)11-16-32(31)45(33)22-34(46)41-27-5-3-2-4-6-27;;/h7-16,19,27,30,38H,2-6,17-18,20-22H2,1H3,(H3,39,40)(H,41,46)(H,48,49);2*1H
InChiKey DJMKSZUKDFABMZ-UHFFFAOYSA-N
Formula C37H44Cl2N8O5 Molecular Weight 751.70
Cross Link CHEMBL553328
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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