CFam Chemical Families Database
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You are searching for "CFAMM00435053" in compound.

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CFAM Mol ID CFAMM00435053
Family CFFBM15593 Prostaglandin E2 receptor EP1 subtype and Prostaglandin D2 receptor ligand 2-methyl-N-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-2-phenylpropanamide family
Superfamily CFSBM6649 Prostaglandin E2 receptor EP1 subtype and Prostaglandin D2 receptor Binder Superfamily
Class CFCBM689 Class 3739
External ID CHEMBL92539 External Source CHEMBL
PubChem CID 9874010 Functional Category Bioactive
Molecule Name 1-methyl-3-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-1-(2-phenylethyl)urea
IUPAC Name 1-methyl-3-[2-[4-[(6-oxo-11,12-dihydrobenzo[c][1]benzazocin-5-yl)methyl]phenyl]phenyl]sulfonyl-1-(2-phenylethyl)urea
Synonyms CHEBI:247718
InChi InChI=1S/C38H35N3O4S/c1-40(26-25-28-11-3-2-4-12-28)38(43)39-46(44,45)36-18-10-8-15-33(36)31-21-19-29(20-22-31)27-41-35-17-9-6-14-32(35)24-23-30-13-5-7-16-34(30)37(41)42/h2-22H,23-27H2,1H3,(H,39,43)
InChiKey LBGFGHRPRLDYOY-UHFFFAOYSA-N
Formula C38H35N3O4S Molecular Weight 629.77
Cross Link CHEMBL92539
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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