CFam Chemical Families Database
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You are searching for "CFAMM00530835" in compound.

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CFAM Mol ID CFAMM00530835
Family CFFBM47929 Substance-P receptor ligand (2S)-2-N-[2-[(3,5-dimethylphenyl)methyl-methylamino]ethyl]-2-N-methyl-4-N,4-N-dipentyl-1-N,1-N-diphenylpiperazine-1,2,4-tricarboxamide family
Superfamily CFSID1434 Cannabinoid receptor 1 Ligand 1,3,5-triphenylimidazolidine-2,4-dione Superfamily
Class CFCID263 Class 1613
External ID CHEMBL93038 External Source CHEMBL
PubChem CID 44324706 Functional Category Bioactive
Molecule Name (2S)-2-N-[2-[(3,5-dimethylphenyl)methyl-methylamino]ethyl]-2-N-methyl-4-N,4-N-dipentyl-1-N,1-N-diphenylpiperazine-1,2,4-tricarboxamide
IUPAC Name (2S)-2-N-[2-[(3,5-dimethylphenyl)methyl-methylamino]ethyl]-2-N-methyl-4-N,4-N-dipentyl-1-N,1-N-diphenylpiperazine-1,2,4-tricarboxamide
Synonyms CHEBI:248511
InChi InChI=1S/C42H60N6O3/c1-7-9-17-23-45(24-18-10-8-2)41(50)46-27-28-47(42(51)48(37-19-13-11-14-20-37)38-21-15-12-16-22-38)39(33-46)40(49)44(6)26-25-43(5)32-36-30-34(3)29-35(4)31-36/h11-16,19-22,29-31,39H,7-10,17-18,23-28,32-33H2,1-6H3/t39-/m0/s1
InChiKey QSSWXHSQMGICOW-KDXMTYKHSA-N
Formula C42H60N6O3 Molecular Weight 696.96
Cross Link CHEMBL93038
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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