CFam Chemical Families Database
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You are searching for "CFAMM00100369" in compound.

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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 CFAMM00100369
Family CFFAD744 Kappa-type opioid receptor Ligand Dezocine Family
Superfamily CFSAD626 Kappa-type opioid receptor Ligand Dezocine Superfamily
Class CFCAD62 Class 62
External ID CHEMBL99410 External Source CHEMBL
PubChem CID 10020464 Functional Category Bioactive
Molecule Name 3-[(3R,4R)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3,4-dimethylpiperidin-4-yl]phenol
IUPAC Name 3-[(3R,4R)-1-[(3R)-3-cyclohexyl-3-hydroxypropyl]-3,4-dimethylpiperidin-4-yl]phenol
Synonyms CHEBI:257958
InChi InChI=1S/C22H35NO2/c1-17-16-23(13-11-21(25)18-7-4-3-5-8-18)14-12-22(17,2)19-9-6-10-20(24)15-19/h6,9-10,15,17-18,21,24-25H,3-5,7-8,11-14,16H2,1-2H3/t17-,21+,22+/m0/s1
InChiKey LVVHEFJXPXAUDD-MTNREXPMSA-N
Formula C22H35NO2 Molecular Weight 345.52
Cross Link CHEMBL99410
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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