CFam Chemical Families Database
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You are searching for "CFAMM00235002" in compound.

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CFAM Mol ID CFAMM00235002
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL140422 External Source CHEMBL
PubChem CID 10699067 Functional Category Bioactive
Molecule Name N-[(2S)-1-[[(2S)-1-[[(1S,2S)-3-cyclohexyl-1-diethylphosphoryl-1-hydroxypropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
IUPAC Name N-[(2S)-1-[[(2S)-1-[[(1S,2S)-3-cyclohexyl-1-diethylphosphoryl-1-hydroxypropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]cyclopentanecarboxamide
Synonyms CHEBI:334091
InChi InChI=1S/C34H56N3O5P/c1-5-43(42,6-2)34(41)30(23-26-17-11-8-12-18-26)37-32(39)28(21-24(3)4)36-33(40)29(22-25-15-9-7-10-16-25)35-31(38)27-19-13-14-20-27/h7,9-10,15-16,24,26-30,34,41H,5-6,8,11-14,17-23H2,1-4H3,(H,35,38)(H,36,40)(H,37,39)/t28-,29-,30-,34-/m0/s1
InChiKey ZFYJXLFEKNODFV-DCMQHHMNSA-N
Formula C34H56N3O5P Molecular Weight 617.80
Cross Link CHEMBL140422
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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