CFam Chemical Families Database
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You are searching for "CFAMM00177397" in compound.

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CFAM Mol ID CFAMM00177397
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 ZINC04085325 External Source ZINC
PubChem CID 7094890 Functional Category Natural Product
Molecule Name (2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-3-phenylpropanoate
IUPAC Name (2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-3-phenylpropanoate
Synonyms AC1OF86D;(2S)-2-[[3-(2-oxochromen-3-yl)benzoyl]amino]-3-phenylpropanoate
InChi InChI=1S/C25H19NO5/c27-23(26-21(24(28)29)13-16-7-2-1-3-8-16)19-11-6-10-17(14-19)20-15-18-9-4-5-12-22(18)31-25(20)30/h1-12,14-15,21H,13H2,(H,26,27)(H,28,29)/p-1/t21-/m0/s1
InChiKey YZZKRIZRJMANSB-NRFANRHFSA-M
Formula C25H18NO5- Molecular Weight 412.41
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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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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