CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00431408" 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 CFAMM00431408
Family CFFBM14968 Substance-P receptor ligand (4R)-N-[(2R)-1-[benzyl(methyl)amino]-1-oxo-3-phenylpropan-2-yl]-4-hydroxy-1-(1-methylindole-3-carbonyl)pyrrolidine-2-carboxamide family
Superfamily CFSAD139 HIV protease Inhibitor Saquinavir Superfamily
Class CFCAD137 Class 137
External ID CHEMBL1779538 External Source CHEMBL
PubChem CID 54580557 Functional Category Bioactive
Molecule Name CHEMBL1779538
IUPAC Name
Synonyms CHEBI:1248012
InChi InChI=1S/C26H34N4O3/c1-15-21-5-4-8-29-14-18(31)9-17(29)13-28-20-10-16(6-7-19(20)25(27)33)30(21)22-11-26(2,3)12-23(32)24(15)22/h6-7,10,17-18,28,31H,4-5,8-9,11-14H2,1-3H3,(H2,27,33)/t17-,18-/m1/s1
InChiKey IRRAGNCOBFDJHT-QZTJIDSGSA-N
Formula C26H34N4O3 Molecular Weight 450.57
Cross Link CHEMBL1779538
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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