CFam Chemical Families Database
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You are searching for "CFAMM00431341" in compound.

Total 1 results found.

Click on CFAM IDs and names to search or view in CFAM, click on external IDs to view the entity in its source database.

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CFAM Mol ID CFAMM00431341
Family CFFBM14955 Mu-type opioid receptor and Kappa-type opioid receptor ligand ethyl (3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)piperidine-3-carboxylate family
Superfamily CFSBM6473 Mu-type opioid receptor and Kappa-type opioid receptor Binder Superfamily 14
Class CFCID1623 Class 2973
External ID CHEMBL293655 External Source CHEMBL
PubChem CID 44303661 Functional Category Bioactive
Molecule Name ethyl (2S,3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)-2-methylpiperidine-3-carboxylate
IUPAC Name ethyl (2S,3S)-1-(cyclopropylmethyl)-3-(3-hydroxyphenyl)-2-methylpiperidine-3-carboxylate
Synonyms CHEBI:196277
InChi InChI=1S/C19H27NO3/c1-3-23-18(22)19(16-6-4-7-17(21)12-16)10-5-11-20(14(19)2)13-15-8-9-15/h4,6-7,12,14-15,21H,3,5,8-11,13H2,1-2H3/t14-,19+/m0/s1
InChiKey TXUOCWNHEMNZCU-IFXJQAMLSA-N
Formula C19H27NO3 Molecular Weight 317.42
Cross Link CHEMBL293655
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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