CFam Chemical Families Database
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You are searching for "CFAMM00309827" in compound.

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CFAM Mol ID CFAMM00309827
Family CFFBM283 Peptidyl-prolyl cis-trans isomerase FKBP1A inhibitor 2-[3-[(1R)-3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-2-(3,4,5-trimethoxyphenyl)propanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid family
Superfamily CFSBM175 Peptidyl-prolyl cis-trans isomerase FKBP1A and Peptidyl-prolyl cis-trans isomerase FKBP4 Binder Superfamily
Class CFCID1339 Class 2689
External ID CHEMBL275506 External Source CHEMBL
PubChem CID 44269842 Functional Category Bioactive
Molecule Name 2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-3-methyl-2-phenylbutanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
IUPAC Name 2-[3-[3-(3,4-dimethoxyphenyl)-1-[(2S)-1-[(2S)-3-methyl-2-phenylbutanoyl]piperidine-2-carbonyl]oxypropyl]phenoxy]acetic acid
Synonyms CHEBI:115118
InChi InChI=1S/C36H43NO8/c1-24(2)34(26-11-6-5-7-12-26)35(40)37-20-9-8-15-29(37)36(41)45-30(27-13-10-14-28(22-27)44-23-33(38)39)18-16-25-17-19-31(42-3)32(21-25)43-4/h5-7,10-14,17,19,21-22,24,29-30,34H,8-9,15-16,18,20,23H2,1-4H3,(H,38,39)/t29-,30?,34-/m0/s1
InChiKey LCRNDTPQUQXLMU-DKSGGHMKSA-N
Formula C36H43NO8 Molecular Weight 617.73
Cross Link CHEMBL275506
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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