CFam Chemical Families Database
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You are searching for "CFAMM00294921" in compound.

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CFAM Mol ID CFAMM00294921
Family CFFID3629 3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Inhibitor ONO-3805 Family
Superfamily CFSID2495 3-oxo-5-alpha-steroid 4-dehydrogenase 1 and 3-oxo-5-alpha-steroid 4-dehydrogenase 2 Inhibitor ONO-3805 Superfamily
Class CFCID1132 Class 2482
External ID CHEMBL1915864 External Source CHEMBL
PubChem CID 57391066 Functional Category Bioactive
Molecule Name 1-[4-chloro-3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid
IUPAC Name 1-[4-chloro-3-[[2,5-dimethyl-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]cyclopropane-1-carboxylic acid
Synonyms SureCN732938
InChi InChI=1S/C29H29ClN2O5/c1-17-13-26(36-16-20-15-32(3)24-6-4-5-7-25(24)37-20)18(2)12-21(17)27(33)31-23-14-19(8-9-22(23)30)29(10-11-29)28(34)35/h4-9,12-14,20H,10-11,15-16H2,1-3H3,(H,31,33)(H,34,35)/t20-/m0/s1
InChiKey IPTWJYYQBCMAJP-FQEVSTJZSA-N
Formula C29H29ClN2O5 Molecular Weight 521.00
Cross Link CHEMBL1915864
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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