CFam Chemical Families Database
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You are searching for "CFAMM00403390" 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 CFAMM00403390
Family CFFBM10632 Cytosolic phospholipase A2 inhibitor AGN-PC-00BH8R family
Superfamily CFSBM4441 Prostaglandin D2 receptor and 3-oxo-5-alpha-steroid 4-dehydrogenase 1 Binder Superfamily
Class CFCID1626 Class 2976
External ID CHEMBL484953 External Source CHEMBL
PubChem CID 44591641 Functional Category Bioactive
Molecule Name AGN-PC-077T5X
IUPAC Name 1-[3-(4-octylphenoxy)-2-oxopropyl]benzotriazole-5-carboxylic acid
Synonyms CHEBI:620497;1-[3-(4-octylphenoxy)-2-oxopropyl]benzotriazole-5-carboxylic acid
InChi InChI=1S/C24H29N3O4/c1-2-3-4-5-6-7-8-18-9-12-21(13-10-18)31-17-20(28)16-27-23-14-11-19(24(29)30)15-22(23)25-26-27/h9-15H,2-8,16-17H2,1H3,(H,29,30)
InChiKey MYASCUXZDQBWNK-UHFFFAOYSA-N
Formula C24H29N3O4 Molecular Weight 423.50
Cross Link CHEMBL484953
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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