CFam Chemical Families Database
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You are searching for "CFAMM00428277" in compound.

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CFAM Mol ID CFAMM00428277
Family CFFBM14398 Type-1A angiotensin II receptor and Type-1B angiotensin II receptor ligand 1-[2-[4-[[5-[2-(benzenesulfinyl)acetyl]-4-methylsulfanyl-2-propylimidazol-1-yl]methyl]phenyl]phenyl]sulfonyl-3-benzylurea family
Superfamily CFSBM6314 Type-1A angiotensin II receptor and Type-1B angiotensin II receptor Binder Superfamily
Class CFCAD395 Class 395
External ID 56990641 External Source PubChem
PubChem CID 56990641 Functional Category Patent Compound
Molecule Name AGN-PC-0BLPQB
IUPAC Name 1-benzhydryl-3-[2-[4-[(2-butan-2-yl-5-ethyl-4-methylsulfanylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylurea
Synonyms 1-benzhydryl-3-[2-[4-[(2-butan-2-yl-5-ethyl-4-methylsulfanylimidazol-1-yl)methyl]phenyl]phenyl]sulfonylurea
InChi InChI=1S/C37H40N4O3S2/c1-5-26(3)35-39-36(45-4)32(6-2)41(35)25-27-21-23-28(24-22-27)31-19-13-14-20-33(31)46(43,44)40-37(42)38-34(29-15-9-7-10-16-29)30-17-11-8-12-18-30/h7-24,26,34H,5-6,25H2,1-4H3,(H2,38,40,42)
InChiKey WKSGKONCGWFMBW-UHFFFAOYSA-N
Formula C37H40N4O3S2 Molecular Weight 652.87
Cross Link
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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