CFam Chemical Families Database
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You are searching for "CFAMM00568880" 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 CFAMM00568880
Family CFFNP3003 2-(8-hydroxy-1,2,3,5,6,7-hexahydropyrido[3,2,1-ij]quinoline-9-carbonyl)benzoic acid NP ZINC00518470 Family
Superfamily CFSBM5692 Niemann-Pick C1 protein and Ras-related protein Rab-9A Binder Superfamily 10
Class CFCBM1841 Class 4891
External ID 20186235 External Source PubChem
PubChem CID 20186235 Functional Category Patent Compound
Molecule Name AGN-PC-02O0CW
IUPAC Name [4-(2-carboxybenzoyl)-3-hydroxyphenyl]-dicyclohexyl-methylazanium
Synonyms SureCN10371049;[4-(2-carboxybenzoyl)-3-hydroxyphenyl]-dicyclohexyl-methylazanium
InChi InChI=1S/C27H33NO4/c1-28(19-10-4-2-5-11-19,20-12-6-3-7-13-20)21-16-17-24(25(29)18-21)26(30)22-14-8-9-15-23(22)27(31)32/h8-9,14-20H,2-7,10-13H2,1H3,(H-,29,30,31,32)/p+1
InChiKey LMLYMPXBBNCOBG-UHFFFAOYSA-O
Formula C27H34NO4+ Molecular Weight 436.56
Cross Link
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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