CFam Chemical Families Database
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You are searching for "CFAMM00429260" in compound.

Total 1 results found.

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CFAM Mol ID CFAMM00429260
Family CFFBM14608 Type-2 angiotensin II receptor and Type-1A angiotensin II receptor ligand AGN-PC-074NDH family
Superfamily CFSBM6314 Type-1A angiotensin II receptor and Type-1B angiotensin II receptor Binder Superfamily
Class CFCAD395 Class 395
External ID CHEMBL86617 External Source CHEMBL
PubChem CID 44321823 Functional Category Bioactive
Molecule Name 2-[2-butyl-3-[[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazol-4-yl]-3,3,3-trifluoro-2-hydroxypropanoic acid
IUPAC Name 2-[2-butyl-3-[[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazol-4-yl]-3,3,3-trifluoro-2-hydroxypropanoic acid
Synonyms AGN-PC-074N74;CHEBI:241873;2-[2-butyl-3-[[4-[2-(cyclohexylmethylcarbamoylsulfamoyl)phenyl]phenyl]methyl]-5-methylsulfanylimidazol-4-yl]-3,3,3-trifluoro-2-hydroxypropanoic acid
InChi InChI=1S/C32H39F3N4O6S2/c1-3-4-14-26-37-28(46-2)27(31(43,29(40)41)32(33,34)35)39(26)20-22-15-17-23(18-16-22)24-12-8-9-13-25(24)47(44,45)38-30(42)36-19-21-10-6-5-7-11-21/h8-9,12-13,15-18,21,43H,3-7,10-11,14,19-20H2,1-2H3,(H,40,41)(H2,36,38,42)
InChiKey VXWQAJIHWWDSFU-UHFFFAOYSA-N
Formula C32H39F3N4O6S2 Molecular Weight 696.80
Cross Link CHEMBL86617
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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