CFam Chemical Families Database
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You are searching for "CFAMM00235092" in compound.

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Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00235092
Family CFFID1300 Plasmepsin-1 Inhibitor SC-5003 Family
Superfamily CFSAD716 Bacterial outer membrane Inhibitor Polymyxin B Superfamily
Class CFCAD607 Class 607
External ID CHEMBL91995 External Source CHEMBL
PubChem CID 461619 Functional Category Bioactive
Molecule Name AC1LA4LX
IUPAC Name [(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(2-methylpropyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
Synonyms 1-(2OHPr)-4-Substit-piperazine, thienyl carbamate deriv. 5;(2R,3R)-2-Isopropyl-1,1-dioxidotetrahydro-3-thienyl ((1S,2R)-1-benzyl-3-{(2S)-2-[(tert-butylamino)carbonyl]-4-isobutylpiperazin-1-yl}-2-hydroxypropyl)carbamate;[(2R,3R)-1,1-dioxo-2-propan-2-ylthiolan-3-yl] N-[(2S,3R)-4-[(2S)-2-(tert-butylcarbamoyl)-4-(2-methylpropyl)piperazin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]carbamate
InChi InChI=1S/C31H52N4O6S/c1-21(2)18-34-14-15-35(25(19-34)29(37)33-31(5,6)7)20-26(36)24(17-23-11-9-8-10-12-23)32-30(38)41-27-13-16-42(39,40)28(27)22(3)4/h8-12,21-22,24-28,36H,13-20H2,1-7H3,(H,32,38)(H,33,37)/t24-,25-,26+,27+,28+/m0/s1
InChiKey MKOFHUCSPZPDFD-UZSVIBPSSA-N
Formula C31H52N4O6S Molecular Weight 608.83
Cross Link CHEMBL91995
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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