CFam Chemical Families Database
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You are searching for "CFAMM00298591" in compound.

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CFAM Mol ID CFAMM00298591
Family CFFID3861 D(2) dopamine receptor Ligand (s)-secoantioquine Family
Superfamily CFSCD637 Heat shock protein 90, putative Inhibitor KW-2478 Superfamily
Class CFCAD727 Class 727
External ID DNC013751 External Source TTD
PubChem CID 44584689 Functional Category Investigative Drug
Molecule Name (S)-secoantioquine hydrochloride
IUPAC Name 4-hydroxy-3-[5-[[(1S)-7-hydroxy-6-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-methoxyphenyl]benzaldehyde;hydrochloride
Synonyms CHEMBL506299;(S)-secoantioquine hydrochloride;CHEBI:605924;DNC013751
InChi InChI=1S/C37H38N2O8.ClH/c1-38-12-11-24-18-33(46-5)35(42)36(47-32-19-25-23(17-31(32)45-4)10-13-39(2)37(25)43)34(24)28(38)16-21-7-9-30(44-3)27(14-21)26-15-22(20-40)6-8-29(26)41;/h6-9,14-15,17-20,28,41-42H,10-13,16H2,1-5H3;1H/t28-;/m0./s1
InChiKey UOCXQPQQPWZQIB-JCOPYZAKSA-N
Formula C37H39ClN2O8 Molecular Weight 675.17
Cross Link CHEMBL506299
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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