CFam Chemical Families Database
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You are searching for "CFAMM00174962" 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 CFAMM00174962
Family CFFID27 Protein kinase C theta type Inhibitor 4-(1h-indol-5-yloxy)-5-styrylnicotinonitrile Family
Superfamily CFSAD271 Melatonin receptor type 1A Ligand Melatonin Superfamily
Class CFCAD24 Class 24
External ID ZINC08964474 External Source ZINC
PubChem CID 40890785 Functional Category Natural Product
Molecule Name (1R)-1-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
IUPAC Name (1R)-1-[4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium
Synonyms
InChi InChI=1S/C26H25N3O4/c1-16-13-19(8-9-23(16)29(30)31)33-15-18-14-17(7-10-24(18)32-2)25-26-21(11-12-27-25)20-5-3-4-6-22(20)28-26/h3-10,13-14,25,27-28H,11-12,15H2,1-2H3/p+1/t25-/m1/s1
InChiKey BAOFMJAIZRMJEG-RUZDIDTESA-O
Formula C26H26N3O4+ Molecular Weight 444.50
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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