CFam Chemical Families Database
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You are searching for "CFAMM00419460" 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 CFAMM00419460
Family CFFBM12987 Sodium-dependent serotonin transporter and Histamine H3 receptor ligand AGN-PC-04F7KX family
Superfamily CFSBM5919 Sodium-dependent serotonin transporter and P2X purinoceptor 7 Binder Superfamily
Class CFCAD198 Class 198
External ID CHEMBL236606 External Source CHEMBL
PubChem CID 44435317 Functional Category Bioactive
Molecule Name SureCN13004115
IUPAC Name 2-methyl-4-(4-methylsulfanylphenyl)-7-[2-(piperidin-1-ylmethyl)pyridin-4-yl]oxy-3,4-dihydro-1H-isoquinoline
Synonyms AGN-PC-076C5F;CHEBI:501988;2-methyl-4-(4-methylsulfanylphenyl)-7-[2-(piperidin-1-ylmethyl)pyridin-4-yl]oxy-3,4-dihydro-1H-isoquinoline
InChi InChI=1S/C28H33N3OS/c1-30-18-22-16-24(8-11-27(22)28(20-30)21-6-9-26(33-2)10-7-21)32-25-12-13-29-23(17-25)19-31-14-4-3-5-15-31/h6-13,16-17,28H,3-5,14-15,18-20H2,1-2H3
InChiKey JIAHUHYIBFOBFK-UHFFFAOYSA-N
Formula C28H33N3OS Molecular Weight 459.65
Cross Link CHEMBL236606
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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