CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00383696" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00383696
Family CFFBM7852 Bifunctional epoxide hydrolase 2 and Prostaglandin G/H synthase 2 inhibitor AGN-PC-09MB6N family
Superfamily CFSAD466 Prostaglandin G/H synthase 2 Inhibitor Celecoxib Superfamily
Class CFCAD428 Class 428
External ID CHEMBL1766290 External Source CHEMBL
PubChem CID 52951486 Functional Category Bioactive
Molecule Name AGN-PC-09MAX1
IUPAC Name 1-cycloheptyl-3-[[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl]urea
Synonyms SureCN9938515;CHEBI:1241322;1-cycloheptyl-3-[[1-(4-methylsulfonylphenyl)-5-phenylpyrazol-3-yl]methyl]urea
InChi InChI=1S/C25H30N4O3S/c1-33(31,32)23-15-13-22(14-16-23)29-24(19-9-5-4-6-10-19)17-21(28-29)18-26-25(30)27-20-11-7-2-3-8-12-20/h4-6,9-10,13-17,20H,2-3,7-8,11-12,18H2,1H3,(H2,26,27,30)
Formula C25H30N4O3S Molecular Weight 466.60
Cross Link CHEMBL1766290

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).

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National University of Singapore, Singapore

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