CFam Chemical Families Database
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You are searching for "CFAMM00440234" in compound.

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CFAM Mol ID CFAMM00440234
Family CFFBM17029 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 1D ligand N-(3,4-dihydro-2H-chromen-2-ylmethyl)-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)butane-1,4-diamine family
Superfamily CFSBM6975 5-hydroxytryptamine receptor 1A and 5-hydroxytryptamine receptor 1D Binder Superfamily 3
Class CFCID1583 Class 2933
External ID CHEMBL88240 External Source CHEMBL
PubChem CID 66004 Functional Category Bioactive
Molecule Name Alniditan
IUPAC Name N-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine
Synonyms [3H]alniditan;N-[[(2R)-chroman-2-yl]methyl]-N'-(1,4,5,6-tetrahydropyrimidin-2-yl)propane-1,3-diamine;Alniditan [INN:BAN];AC1Q4UFC;SureCN717887;UNII-B57Z82EOGE;AC1L24EQ;GTPL117;GTPL120
InChi InChI=1S/C17H26N4O/c1-2-6-16-14(5-1)7-8-15(22-16)13-18-9-3-10-19-17-20-11-4-12-21-17/h1-2,5-6,15,18H,3-4,7-13H2,(H2,19,20,21)/t15-/m1/s1
InChiKey QVSXOXCYXPQXMF-OAHLLOKOSA-N
Formula C17H26N4O Molecular Weight 302.41
Cross Link CHEMBL88240
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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