CFam Chemical Families Database
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You are searching for "CFAMM00264174" in compound.

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CFAM Mol ID CFAMM00264174
Family CFFID2279 Plasmepsin-2 Inhibitor KNI-10079 Family
Superfamily CFSID1675 Plasmepsin-2 Binder Superfamily
Class CFCID1060 Class 2410
External ID DNC009301 External Source TTD
PubChem CID 44588292 Functional Category Investigative Drug
Molecule Name KNI-10080
IUPAC Name (4R)-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-[(2S,3S)-2-hydroxy-3-[[2-(3-methylphenoxy)acetyl]amino]-4-phenylbutanoyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxamide
Synonyms CHEMBL453415;CHEBI:613245;DNC009301
InChi InChI=1S/C34H39N3O6S/c1-21-10-9-14-24(16-21)43-19-28(39)35-26(17-22-11-5-4-6-12-22)30(40)33(42)37-20-44-34(2,3)31(37)32(41)36-29-25-15-8-7-13-23(25)18-27(29)38/h4-16,26-27,29-31,38,40H,17-20H2,1-3H3,(H,35,39)(H,36,41)/t26-,27+,29-,30-,31+/m0/s1
InChiKey LAVCSYCCYHZRBK-VFCPCCRCSA-N
Formula C34H39N3O6S Molecular Weight 617.75
Cross Link CHEMBL453415
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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