CFam Chemical Families Database
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You are searching for "CFAMM00602286" in compound.

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CFAM Mol ID CFAMM00602286
Family CFFPA8851 Putative Patent US5891916,EP0749957,US3973022 Family
Superfamily CFSNP164 3-methyl-2-(quinolin-2-ylmethyl)-2H-furan-5-one NP 4-methyl-5-(quinolin-2-ylmethyl)furan-2(5h)-one and (E,2S)-4-quinolin-2-ylbut-3-en-2-ol NP (s,e)-4-(quinolin-2-yl)but-3-en-2-ol Superfamily
Class CFCID1168 Class 2518
External ID 54380146 External Source PubChem
PubChem CID 54380146 Functional Category Patent Compound
Molecule Name AGN-PC-0A67JG
IUPAC Name ethyl 1-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylate
Synonyms SureCN8487085;ethyl 1-[[[2-(2-cyanophenyl)quinolin-6-yl]methyl-pentanoylamino]methyl]cyclopentane-1-carboxylate
InChi InChI=1S/C31H35N3O3/c1-3-5-12-29(35)34(22-31(17-8-9-18-31)30(36)37-4-2)21-23-13-15-27-24(19-23)14-16-28(33-27)26-11-7-6-10-25(26)20-32/h6-7,10-11,13-16,19H,3-5,8-9,12,17-18,21-22H2,1-2H3
InChiKey UZICESNYSKAYFV-UHFFFAOYSA-N
Formula C31H35N3O3 Molecular Weight 497.63
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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