CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00415610" 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 CFAMM00415610
Family CFFBM12412 Mu-type opioid receptor ligand CHEMBL2310836 family
Superfamily CFSBM121 Prelamin-A/C and D(4) dopamine receptor Binder Superfamily
Class CFCID247 Class 1597
External ID CHEMBL1950859 External Source CHEMBL
PubChem CID 57401196 Functional Category Bioactive
Molecule Name (2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-yl]butanamide
IUPAC Name (2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]-N-[(3S)-1-[2-(4-nitrophenyl)ethyl]piperidin-3-yl]butanamide
Synonyms
InChi InChI=1S/C23H37N5O4/c1-16(24-5)21(29)26-20(23(2,3)4)22(30)25-18-7-6-13-27(15-18)14-12-17-8-10-19(11-9-17)28(31)32/h8-11,16,18,20,24H,6-7,12-15H2,1-5H3,(H,25,30)(H,26,29)/t16-,18-,20+/m0/s1
InChiKey QAEZJDXRJBVTSY-XKGZKEIXSA-N
Formula C23H37N5O4 Molecular Weight 447.57
Cross Link CHEMBL1950859
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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