CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00242350" 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 CFAMM00242350
Family CFFID1545 Histamine H3 receptor Ligand A-349821 Family
Superfamily CFSID1202 Caspase-3 and Histamine H3 receptor Binder Superfamily
Class CFCCD80 Class 893
External ID ZINC16985403 External Source ZINC
PubChem CID 27456182 Functional Category Natural Product
Molecule Name (3,4-dihydroisoquinolin-2(1H)-yl)(4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl)methanone
IUPAC Name 3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methoxyphenyl)oxan-4-yl]methanone
Synonyms AGN-PC-059U16;MolPort-009-099-823;ZINC16985403;MCULE-3523388767;3,4-dihydro-1H-isoquinolin-2-yl-[4-(4-methoxyphenyl)oxan-4-yl]methanone
InChi InChI=1S/C22H25NO3/c1-25-20-8-6-19(7-9-20)22(11-14-26-15-12-22)21(24)23-13-10-17-4-2-3-5-18(17)16-23/h2-9H,10-16H2,1H3
InChiKey OIWDWWDWVHMQPP-UHFFFAOYSA-N
Formula C22H25NO3 Molecular Weight 351.44
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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