CFam Chemical Families Database
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You are searching for "CFAMM00429697" in compound.

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CFAM Mol ID CFAMM00429697
Family CFFBM14688 Delta-type opioid receptor and Kappa-type opioid receptor ligand 4-(N-[8-[(Z)-but-2-enyl]-8-azabicyclo[3.2.1]octan-3-yl]-3-methoxyanilino)-N,N-diethylbenzamide family
Superfamily CFSBM4253 Kappa-type opioid receptor and Delta-type opioid receptor Binder Superfamily 7
Class CFCAD418 Class 418
External ID CHEMBL282013 External Source CHEMBL
PubChem CID 44459126 Functional Category Bioactive
Molecule Name AGN-PC-076HXD
IUPAC Name N,N-diethyl-4-(3-methoxy-N-(8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzamide
Synonyms CHEBI:130573;N,N-diethyl-4-(3-methoxy-N-(8-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-yl)anilino)benzamide
InChi InChI=1S/C28H37N3O2/c1-5-17-30-23-15-16-24(30)19-26(18-23)31(25-9-8-10-27(20-25)33-4)22-13-11-21(12-14-22)28(32)29(6-2)7-3/h5,8-14,20,23-24,26H,1,6-7,15-19H2,2-4H3
InChiKey CGHIKABGTLSZGS-UHFFFAOYSA-N
Formula C28H37N3O2 Molecular Weight 447.61
Cross Link CHEMBL282013
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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