CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00186622" in compound.

Total 1 results found.

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 CFAMM00186622
Family CFFID293 Prothrombin Inhibitor Efegatran Family
Superfamily CFSID21 Prothrombin and Neuromedin-K receptor Binder Superfamily
Class CFCID12 Class 1362
External ID CHEMBL455277 External Source CHEMBL
PubChem CID 24822532 Functional Category Bioactive
Molecule Name SureCN3838718
IUPAC Name 2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl N-[(2S)-1-[[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-phenylbutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
Synonyms CHEBI:591053;SNJ-1957
InChi InChI=1S/C31H49N3O10/c1-23(2)21-27(34-31(38)44-20-19-43-18-17-42-16-15-41-14-13-40-12-11-39-3)29(36)33-26(22-24-7-5-4-6-8-24)28(35)30(37)32-25-9-10-25/h4-8,23,25-27H,9-22H2,1-3H3,(H,32,37)(H,33,36)(H,34,38)/t26-,27-/m0/s1
InChiKey YFDIVQUPDDCXHL-SVBPBHIXSA-N
Formula C31H49N3O10 Molecular Weight 623.73
Cross Link CHEMBL455277
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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