CFam Chemical Families Database
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You are searching for "CFAMM00484463" in compound.

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CFAM Mol ID CFAMM00484463
Family CFFBM27935 Orexin receptor type 2 and Orexin receptor type 1 ligand (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-3-ylmethylamino)butan-1-one family
Superfamily CFSBM4648 Orexin receptor type 2 and Orexin receptor type 1 Binder Superfamily 3
Class CFCBM562 Class 3612
External ID CHEMBL343786 External Source CHEMBL
PubChem CID 44359281 Functional Category Bioactive
Molecule Name (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-3-ylmethylamino)butan-1-one
IUPAC Name (2S)-1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3,3-dimethyl-2-(thiophen-3-ylmethylamino)butan-1-one
Synonyms CHEBI:330927
InChi InChI=1S/C22H30N2O3S/c1-22(2,3)20(23-12-15-7-9-28-14-15)21(25)24-8-6-16-10-18(26-4)19(27-5)11-17(16)13-24/h7,9-11,14,20,23H,6,8,12-13H2,1-5H3/t20-/m1/s1
InChiKey QMVDETQCAYXARE-HXUWFJFHSA-N
Formula C22H30N2O3S Molecular Weight 402.55
Cross Link CHEMBL343786
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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