CFam Chemical Families Database
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You are searching for "CFAMM00322682" in compound.

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CFAM Mol ID CFAMM00322682
Family CFFBM1379 Kappa-type opioid receptor ligand 6-[2-oxo-2-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]-3,4-dihydro-2H-naphthalen-1-one family
Superfamily CFSBM733 Kappa-type opioid receptor and C-C chemokine receptor type 5 Binder Superfamily
Class CFCCD249 Class 1062
External ID 18914995 External Source PubChem
PubChem CID 18914995 Functional Category Patent Compound
Molecule Name SureCN8559421
IUPAC Name 4-[4-methyl-2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
Synonyms AGN-PC-02250W;4-[4-methyl-2-(pyrrolidin-1-ylmethyl)piperazine-1-carbonyl]-3,4-dihydro-2H-naphthalen-1-one
InChi InChI=1S/C21H29N3O2/c1-22-12-13-24(16(14-22)15-23-10-4-5-11-23)21(26)19-8-9-20(25)18-7-3-2-6-17(18)19/h2-3,6-7,16,19H,4-5,8-15H2,1H3
InChiKey GVNLOBSHRGNMMD-UHFFFAOYSA-N
Formula C21H29N3O2 Molecular Weight 355.47
Cross Link
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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