CFam Chemical Families Database
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You are searching for "CFAMM00042228" 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 CFAMM00042228
Family CFFAD239 5-hydroxytryptamine receptor 3A Ligand Granisetron Family
Superfamily CFSAD215 5-hydroxytryptamine receptor 3A Ligand Granisetron Superfamily
Class CFCAD208 Class 208
External ID CHEMBL460217 External Source CHEMBL
PubChem CID 44590865 Functional Category Bioactive
Molecule Name N-[(1S)-1-phenyl-3-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide
IUPAC Name N-[(1S)-1-phenyl-3-[4-(4-pyridin-4-yl-1H-pyrazol-5-yl)piperidin-1-yl]butyl]cyclobutanecarboxamide
Synonyms CHEBI:618728
InChi InChI=1S/C28H35N5O/c1-20(18-26(22-6-3-2-4-7-22)31-28(34)24-8-5-9-24)33-16-12-23(13-17-33)27-25(19-30-32-27)21-10-14-29-15-11-21/h2-4,6-7,10-11,14-15,19-20,23-24,26H,5,8-9,12-13,16-18H2,1H3,(H,30,32)(H,31,34)/t20?,26-/m0/s1
InChiKey XFUXIQVTGGYUOZ-GHZUAHJPSA-N
Formula C28H35N5O Molecular Weight 457.61
Cross Link CHEMBL460217
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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