CFam Chemical Families Database
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You are searching for "CFAMM00157685" 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 CFAMM00157685
Family CFFCD445 D(1B) dopamine receptor Ligand LE-300 Family
Superfamily CFSCD406 D(1B) dopamine receptor Ligand LE-300 Superfamily
Class CFCCD292 Class 1105
External ID DNC011301 External Source TTD
PubChem CID 5940197 Functional Category Investigative Drug
Molecule Name NSC-77833
IUPAC Name 1-[(E)-2-(1H-indol-3-yl)ethenyl]isoquinoline
Synonyms NSC-77833;1-[2-(1h-indol-3-yl)ethenyl]isoquinoline;AT-051/43421284;MLS002694045;AC1NZRQZ;AC1Q4YF7;CHEMBL1287981;CHEBI:814372;MolPort-019-790-899;KST-1B1384
InChi InChI=1S/C19H14N2/c1-2-6-16-14(5-1)11-12-20-19(16)10-9-15-13-21-18-8-4-3-7-17(15)18/h1-13,21H/b10-9+
InChiKey GXWLLYOLXFYXAT-MDZDMXLPSA-N
Formula C19H14N2 Molecular Weight 270.33
Cross Link CHEMBL1287981
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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