CFam Chemical Families Database
BIDD Pharmainformatics Databases
You are searching for "CFAMM00183049" 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 CFAMM00183049
Family CFFID171 Tryptase Inhibitor Babim Family
Superfamily CFSID139 Tryptase and Adenosine receptor A1 Binder Superfamily
Class CFCAD667 Class 667
External ID CHEMBL378242 External Source CHEMBL
PubChem CID 11656916 Functional Category Bioactive
Molecule Name AGN-PC-00DJJG
IUPAC Name 3-[4-[[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-(1-methylsulfonylpiperidin-4-ylidene)methyl]phenyl]benzonitrile
Synonyms SureCN14532609;CHEBI:452150;3-[4-[[5-fluoro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-(1-methylsulfonylpiperidin-4-ylidene)methyl]phenyl]benzonitrile
InChi InChI=1S/C28H22F4N4O2S/c1-39(37,38)36-11-9-20(10-12-36)26(19-7-5-18(6-8-19)21-4-2-3-17(13-21)16-33)27-34-24-14-22(28(30,31)32)23(29)15-25(24)35-27/h2-8,13-15H,9-12H2,1H3,(H,34,35)
Formula C28H22F4N4O2S Molecular Weight 554.56
Cross Link CHEMBL378242

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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