CFam Chemical Families Database
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You are searching for "CFAMM00042362" 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 CFAMM00042362
Family CFFAD239 5-hydroxytryptamine receptor 3A Ligand Granisetron Family
Superfamily CFSAD215 5-hydroxytryptamine receptor 3A Ligand Granisetron Superfamily
Class CFCAD208 Class 208
External ID CHEMBL2179705 External Source CHEMBL
PubChem CID 11421340 Functional Category Bioactive
Molecule Name N-[[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
IUPAC Name N-[[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
Synonyms AGN-PC-008RYB;SureCN1405809;N-[[1-[2-(4-nitrophenyl)ethyl]piperidin-4-yl]methyl]-1-propan-2-ylindazole-3-carboxamide;oxalic acid
InChi InChI=1S/C25H31N5O3.C2H2O4/c1-18(2)29-23-6-4-3-5-22(23)24(27-29)25(31)26-17-20-12-15-28(16-13-20)14-11-19-7-9-21(10-8-19)30(32)33;3-1(4)2(5)6/h3-10,18,20H,11-17H2,1-2H3,(H,26,31);(H,3,4)(H,5,6)
InChiKey NHONGKFTCAOORL-UHFFFAOYSA-N
Formula C27H33N5O7 Molecular Weight 539.58
Cross Link CHEMBL2179705
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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