CFam Chemical Families Database
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You are searching for "CFAMM00346969" in compound.

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CFAM Mol ID CFAMM00346969
Family CFFBM3474 Delta-type opioid receptor and Mu-type opioid receptor ligand 4-(N-[(1R,5S)-8-(1,3-benzodioxole-5-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]anilino)-N,N-diethylbenzamide family
Superfamily CFSID989 Multidrug resistance protein 1 and Multidrug resistance-associated protein 1 Binder Superfamily
Class CFCCD246 Class 1059
External ID CHEMBL187503 External Source CHEMBL
PubChem CID 44397221 Functional Category Bioactive
Molecule Name AGN-PC-075HBT
IUPAC Name N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-[4-(3-cyanophenyl)phenyl]acetamide
Synonyms CHEBI:414865;N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-[4-(3-cyanophenyl)phenyl]acetamide
InChi InChI=1S/C28H27N3O3/c29-17-21-2-1-3-24(14-21)23-7-4-20(5-8-23)16-28(32)30-25-10-12-31(13-11-25)18-22-6-9-26-27(15-22)34-19-33-26/h1-9,14-15,25H,10-13,16,18-19H2,(H,30,32)
InChiKey KTUKTIFKDJOEIN-UHFFFAOYSA-N
Formula C28H27N3O3 Molecular Weight 453.53
Cross Link CHEMBL187503
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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