CFam Chemical Families Database
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You are searching for "CFAMM00300828" 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 CFAMM00300828
Family CFFID3987 Voltage-dependent calcium channel gamma-1 subunit Ligand NP-118809 Family
Superfamily CFSCD340 Kappa-type opioid receptor Ligand Asimadoline Superfamily
Class CFCCD249 Class 1062
External ID CHEMBL196340 External Source CHEMBL
PubChem CID 44403565 Functional Category Bioactive
Molecule Name [(1S,4aS,10aR)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-(3-phenylpiperidin-1-yl)methanone
IUPAC Name [(1S,4aS,10aR)-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]-(3-phenylpiperidin-1-yl)methanone
Synonyms CHEBI:427815
InChi InChI=1S/C28H35NO/c1-27-17-9-18-28(2,25(27)16-15-22-12-6-7-14-24(22)27)26(30)29-19-8-13-23(20-29)21-10-4-3-5-11-21/h3-7,10-12,14,23,25H,8-9,13,15-20H2,1-2H3/t23?,25-,27-,28+/m1/s1
InChiKey KCTVTEAWWHOHNZ-MYKDWEDJSA-N
Formula C28H35NO Molecular Weight 401.58
Cross Link CHEMBL196340
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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