CFam Chemical Families Database
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You are searching for "CFAMM00100349" 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 CFAMM00100349
Family CFFAD744 Kappa-type opioid receptor Ligand Dezocine Family
Superfamily CFSAD626 Kappa-type opioid receptor Ligand Dezocine Superfamily
Class CFCAD62 Class 62
External ID CHEMBL157379 External Source CHEMBL
PubChem CID 44370284 Functional Category Bioactive
Molecule Name AGN-PC-075TYX
IUPAC Name 2-methylspiro[1H-isoindole-3,4'-2,3-dihydro-1H-naphthalene]-5-ol;oxalic acid
Synonyms CHEBI:358779;2-methylspiro[1H-isoindole-3,4'-2,3-dihydro-1H-naphthalene]-5-ol;oxalic acid
InChi InChI=1S/C18H19NO.C2H2O4/c1-19-12-14-8-9-15(20)11-17(14)18(19)10-4-6-13-5-2-3-7-16(13)18;3-1(4)2(5)6/h2-3,5,7-9,11,20H,4,6,10,12H2,1H3;(H,3,4)(H,5,6)
InChiKey IHGNAFBYSJWFGM-UHFFFAOYSA-N
Formula C18H19NO.C2H2O4 Molecular Weight 355.38
Cross Link CHEMBL157379
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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