CFam Chemical Families Database
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You are searching for "CFAMM00234943" in compound.

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CFAM Mol ID CFAMM00234943
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL318700 External Source CHEMBL
PubChem CID 5479288 Functional Category Bioactive
Molecule Name AC1NUI1E
IUPAC Name tert-butyl N-[(2S,3S,5R)-5-benzyl-6-[[(2S)-1-[3-(dimethylamino)propylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
Synonyms L-682, 679 analog 38;tert-butyl N-[(2S,3S,5R)-5-benzyl-6-[[(2S)-1-[3-(dimethylamino)propylamino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-oxo-1-phenylhexan-2-yl]carbamate
InChi InChI=1S/C35H54N4O5/c1-8-25(2)31(33(42)36-20-15-21-39(6)7)38-32(41)28(22-26-16-11-9-12-17-26)24-30(40)29(23-27-18-13-10-14-19-27)37-34(43)44-35(3,4)5/h9-14,16-19,25,28-31,40H,8,15,20-24H2,1-7H3,(H,36,42)(H,37,43)(H,38,41)/t25?,28-,29+,30+,31+/m1/s1
InChiKey OMFXTEYPVOHXHU-MZHARIFNSA-N
Formula C35H54N4O5 Molecular Weight 610.83
Cross Link CHEMBL318700
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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