CFam Chemical Families Database
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You are searching for "CFAMM00065317" in compound.

Total 1 results found.

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 CFAMM00065317
Family CFFAD452 Cyclooxygenase Inhibitor Indomethacin Family
Superfamily CFSAD391 Cyclooxygenase Inhibitor Indomethacin Superfamily
Class CFCAD97 Class 97
External ID CHEMBL610190 External Source CHEMBL
PubChem CID 46227685 Functional Category Bioactive
Molecule Name SureCN4192652
IUPAC Name 3-[5-[[(2S)-1-acetyl-2,3-dihydroindol-2-yl]methoxy]-3-benzyl-1-[(4-chlorophenyl)methyl]indol-2-yl]-2,2-dimethylpropanoic acid
Synonyms CHEBI:695086
InChi InChI=1S/C38H37ClN2O4/c1-25(42)41-30(20-28-11-7-8-12-34(28)41)24-45-31-17-18-35-33(21-31)32(19-26-9-5-4-6-10-26)36(22-38(2,3)37(43)44)40(35)23-27-13-15-29(39)16-14-27/h4-18,21,30H,19-20,22-24H2,1-3H3,(H,43,44)/t30-/m0/s1
InChiKey XDJAJMMEYDGRSD-PMERELPUSA-N
Formula C38H37ClN2O4 Molecular Weight 621.16
Cross Link CHEMBL610190
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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