CFam Chemical Families Database
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You are searching for "CFAMM00033838" 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 CFAMM00033838
Family CFFAD188 D(2) dopamine receptor Ligand Nemonapride Family
Superfamily CFSAD176 D(2) dopamine receptor Ligand Nemonapride Superfamily
Class CFCAD171 Class 171
External ID CHEMBL199866 External Source CHEMBL
PubChem CID 11496399 Functional Category Bioactive
Molecule Name 4-amino-5-chloro-2-methoxy-N-[[(1S,4R,8S)-4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl]benzamide;iodide
IUPAC Name 4-amino-5-chloro-2-methoxy-N-[[(1S,4R,8S)-4-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-4-ium-1-yl]methyl]benzamide;iodide
Synonyms CHEBI:437148
InChi InChI=1S/C17H24ClN3O2.HI/c1-21-6-3-4-15(21)11(5-7-21)10-20-17(22)12-8-13(18)14(19)9-16(12)23-2;/h8-9,11,15H,3-7,10H2,1-2H3,(H2-,19,20,22);1H/t11-,15-,21+;/m0./s1
InChiKey MDLHHOYFXIQIGQ-LLOHZTEESA-N
Formula C17H25ClIN3O2 Molecular Weight 465.76
Cross Link CHEMBL199866
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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