CFam Chemical Families Database
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You are searching for "CFAMM00318953" in compound.

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CFAM Mol ID CFAMM00318953
Family CFFBM1069 Peptidyl-prolyl cis-trans isomerase FKBP1A inhibitor [(1R)-1-(3-benzoylphenyl)-3-phenylpropyl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate family
Superfamily CFSBM606 Beta-lactamase and Peptidyl-prolyl cis-trans isomerase FKBP1A Binder Superfamily
Class CFCID13 Class 1363
External ID CHEMBL321670 External Source CHEMBL
PubChem CID 44340151 Functional Category Bioactive
Molecule Name [(E,3R)-7-cyclohexyl-4,4-dimethyl-7-oxo-1-phenylhept-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
IUPAC Name [(E,3R)-7-cyclohexyl-4,4-dimethyl-7-oxo-1-phenylhept-5-en-3-yl] (2S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carboxylate
Synonyms
InChi InChI=1S/C34H49NO5/c1-6-33(2,3)30(37)31(38)35-24-14-13-19-27(35)32(39)40-29(21-20-25-15-9-7-10-16-25)34(4,5)23-22-28(36)26-17-11-8-12-18-26/h7,9-10,15-16,22-23,26-27,29H,6,8,11-14,17-21,24H2,1-5H3/b23-22+/t27-,29+/m0/s1
InChiKey YJNNGDOWAKVHEY-DDCWDQMLSA-N
Formula C34H49NO5 Molecular Weight 551.76
Cross Link CHEMBL321670
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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