CFam Chemical Families Database
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You are searching for "CFAMM00234975" in compound.

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CFAM Mol ID CFAMM00234975
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL95116 External Source CHEMBL
PubChem CID 5479294 Functional Category Bioactive
Molecule Name AC1NUI1W
IUPAC Name tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-1-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms N'-(2-Hydroxy-3-morpholinopropyl)-N-[5(S)-[(tert-butoxycarbonyl)amino]-4(S)-hydroxy-6-phenyl-2(R)-(phenylmethyl)hexanoyl]valine amide;tert-butyl N-[(2S,3S,5R)-5-benzyl-3-hydroxy-6-[[(2S)-1-[(2-hydroxy-3-morpholin-4-ylpropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxo-1-phenylhexan-2-yl]carbamate
InChi InChI=1S/C36H54N4O7/c1-25(2)32(34(44)37-23-29(41)24-40-16-18-46-19-17-40)39-33(43)28(20-26-12-8-6-9-13-26)22-31(42)30(21-27-14-10-7-11-15-27)38-35(45)47-36(3,4)5/h6-15,25,28-32,41-42H,16-24H2,1-5H3,(H,37,44)(H,38,45)(H,39,43)/t28-,29?,30+,31+,32+/m1/s1
InChiKey BVKOLKJKMVRTSB-QUMXDLMTSA-N
Formula C36H54N4O7 Molecular Weight 654.84
Cross Link CHEMBL95116
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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