CFam Chemical Families Database
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You are searching for "CFAMM00428270" in compound.

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CFAM Mol ID CFAMM00428270
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 CHEMBL91047 External Source CHEMBL
PubChem CID 44322493 Functional Category Bioactive
Molecule Name SureCN7539987
IUPAC Name 1-benzyl-3-[2-[4-[[2-butyl-4-methylsulfanyl-5-(2-methylsulfinylacetyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonylurea
Synonyms AGN-PC-074NM7;CHEBI:243311;1-benzyl-3-[2-[4-[[2-butyl-4-methylsulfanyl-5-(2-methylsulfinylacetyl)imidazol-1-yl]methyl]phenyl]phenyl]sulfonylurea
InChi InChI=1S/C32H36N4O5S3/c1-4-5-15-29-34-31(42-2)30(27(37)22-43(3)39)36(29)21-24-16-18-25(19-17-24)26-13-9-10-14-28(26)44(40,41)35-32(38)33-20-23-11-7-6-8-12-23/h6-14,16-19H,4-5,15,20-22H2,1-3H3,(H2,33,35,38)
InChiKey FDMCYZXZPHMANK-UHFFFAOYSA-N
Formula C32H36N4O5S3 Molecular Weight 652.85
Cross Link CHEMBL91047
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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