CFam Chemical Families Database
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You are searching for "CFAMM00177485" in compound.

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CFAM Mol ID CFAMM00177485
Family CFFID64 Cytochrome P450 2D6 and Delta-type opioid receptor Ligand 4-(spiro[chromene-2,4'-piperidine]-4-yl)benzamide Family
Superfamily CFSID49 Cytochrome P450 2D6 and Delta-type opioid receptor Binder Superfamily
Class CFCAD216 Class 216
External ID CHEMBL98485 External Source CHEMBL
PubChem CID 398675 Functional Category Bioactive
Molecule Name NCI60_038472
IUPAC Name [4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone
Synonyms AC1L9H31;CTK5J4736;CHEBI:263207;AG-K-48474;[4-[(S)-[(2S,5R)-2,5-dimethyl-4-prop-2-enylpiperazin-1-yl]-(3-methoxyphenyl)methyl]phenyl]-piperidin-1-ylmethanone;{4-[(s)-[(2s,5r)-2,5-dimethyl-4-(prop-2-en-1-yl)piperazin-1-yl](3-methoxyphenyl)methyl]phenyl}(piperidin-1-yl)methanone
InChi InChI=1S/C29H39N3O2/c1-5-16-31-20-23(3)32(21-22(31)2)28(26-10-9-11-27(19-26)34-4)24-12-14-25(15-13-24)29(33)30-17-7-6-8-18-30/h5,9-15,19,22-23,28H,1,6-8,16-18,20-21H2,2-4H3/t22-,23+,28+/m1/s1
InChiKey ZMVFPDSYCFNQEK-IWHLBADBSA-N
Formula C29H39N3O2 Molecular Weight 461.64
Cross Link CHEMBL98485
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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