CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00243490" 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 CFAMM00243490
Family CFFID1574 Alpha-1A adrenergic receptor Ligand SNAP-6201 Family
Superfamily CFSCD10 Integrin alpha-4 Inhibitor R1295 Superfamily
Class CFCCD7 Class 820
External ID ZINC20410504 External Source ZINC
PubChem CID 28923195 Functional Category Natural Product
Molecule Name 3-benzyl-2,6-dioxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate
IUPAC Name 3-benzyl-2,6-dioxo-5-[(1S)-1,2,3,4-tetrahydroisoquinolin-2-ium-1-yl]pyrimidin-4-olate
Synonyms
InChi InChI=1S/C20H19N3O3/c24-18-16(17-15-9-5-4-8-14(15)10-11-21-17)19(25)23(20(26)22-18)12-13-6-2-1-3-7-13/h1-9,17,21,25H,10-12H2,(H,22,24,26)/t17-/m0/s1
InChiKey WWTXYUUDOOKGPE-KRWDZBQOSA-N
Formula C20H19N3O3 Molecular Weight 349.38
Cross Link
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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