CFam Chemical Families Database
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You are searching for "CFAMM00142847" 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 CFAMM00142847
Family CFFCD203 Arachidonate 5-lipoxygenase Inhibitor MK-591 Family
Superfamily CFSCD184 Arachidonate 5-lipoxygenase Inhibitor MK-591 Superfamily
Class CFCCD145 Class 958
External ID CHEMBL498806 External Source CHEMBL
PubChem CID 44592793 Functional Category Bioactive
Molecule Name AGN-PC-077TWT
IUPAC Name 2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]propanoic acid
Synonyms SureCN3850601;CHEBI:622784;2-[(4-but-2-ynoxyphenyl)sulfonylamino]-3-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]propanoic acid
InChi InChI=1S/C30H29ClN2O6S/c1-4-5-16-39-23-10-13-25(14-11-23)40(36,37)32-28(30(34)35)18-26-20(2)33(19-21-6-8-22(31)9-7-21)29-15-12-24(38-3)17-27(26)29/h6-15,17,28,32H,16,18-19H2,1-3H3,(H,34,35)
InChiKey JKKLEYFTRWCQCH-UHFFFAOYSA-N
Formula C30H29ClN2O6S Molecular Weight 581.08
Cross Link CHEMBL498806
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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