CFam Chemical Families Database
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You are searching for "CFAMM00259001" 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 CFAMM00259001
Family CFFID2077 Lethal factor Inhibitor 3-(2,5-dimethyl-1h-pyrrol-1-yl)benzoic Acid Family
Superfamily CFSID1547 Lethal factor Inhibitor 3-(2,5-dimethyl-1h-pyrrol-1-yl)benzoic Acid Superfamily
Class CFCAD530 Class 530
External ID CHEMBL193242 External Source CHEMBL
PubChem CID 6480921 Functional Category Bioactive
Molecule Name AC1O5ADW
IUPAC Name 2-(cyclohexen-1-yl)-3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
Synonyms CHEBI:418194;1H-Indole-6-carboxylic acid, 2-(1-cyclohexen-1-yl)-3-cyclohexyl-1-[2-[4-(dimethylamino)-1-piperidinyl]-2-oxoethyl]-;2-(cyclohexen-1-yl)-3-cyclohexyl-1-[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]indole-6-carboxylic acid
InChi InChI=1S/C30H41N3O3/c1-31(2)24-15-17-32(18-16-24)27(34)20-33-26-19-23(30(35)36)13-14-25(26)28(21-9-5-3-6-10-21)29(33)22-11-7-4-8-12-22/h11,13-14,19,21,24H,3-10,12,15-18,20H2,1-2H3,(H,35,36)
InChiKey SROPYZHRQRBMSP-UHFFFAOYSA-N
Formula C30H41N3O3 Molecular Weight 491.66
Cross Link CHEMBL193242
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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