CFam Chemical Families Database
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You are searching for "CFAMM00177702" in compound.

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CFAM Mol ID CFAMM00177702
Family CFFID65 Flovagatran family
Superfamily CFSID50 Cathepsin B and Cathepsin L1 Binder Superfamily
Class CFCAD610 Class 610
External ID CHEMBL68155 External Source CHEMBL
PubChem CID 44310429 Functional Category Bioactive
Molecule Name benzyl N-[(2S)-4-amino-1-[[(2S)-4-[butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
IUPAC Name benzyl N-[(2S)-4-amino-1-[[(2S)-4-[butylcarbamoyl(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate
Synonyms
InChi InChI=1S/C31H45N5O6/c1-4-5-16-33-30(40)36(19-22(2)3)20-27(37)25(17-23-12-8-6-9-13-23)34-29(39)26(18-28(32)38)35-31(41)42-21-24-14-10-7-11-15-24/h6-15,22,25-27,37H,4-5,16-21H2,1-3H3,(H2,32,38)(H,33,40)(H,34,39)(H,35,41)/t25-,26-,27?/m0/s1
InChiKey XNLZVXPTFMKQCK-TXIPYEPDSA-N
Formula C31H45N5O6 Molecular Weight 583.72
Cross Link CHEMBL68155
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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