CFam Chemical Families Database
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You are searching for "CFAMM00351216" 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.

Search Results

CFAM Mol ID CFAMM00351216
Family CFFBM3864 Shiga toxin 1 variant B subunit and Shiga toxin 1 variant A subunit inhibitor CHEMBL1371417 family
Superfamily CFSAD258 5-hydroxytryptamine receptor 3A Ligand Palonosetron Superfamily
Class CFCAD246 Class 246
External ID ZINC49543734 External Source ZINC
PubChem CID 52320289 Functional Category Natural Product
Molecule Name 1-[(4S)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]piperidine-4-carboxamide
IUPAC Name 1-[(4S)-2-(2-methoxyethyl)-1-oxospiro[4H-isoquinoline-3,1'-cyclohexane]-4-carbonyl]piperidine-4-carboxamide
Synonyms
InChi InChI=1S/C24H33N3O4/c1-31-16-15-27-22(29)19-8-4-3-7-18(19)20(24(27)11-5-2-6-12-24)23(30)26-13-9-17(10-14-26)21(25)28/h3-4,7-8,17,20H,2,5-6,9-16H2,1H3,(H2,25,28)/t20-/m1/s1
InChiKey DBHWFODTNHDYEM-HXUWFJFHSA-N
Formula C24H33N3O4 Molecular Weight 427.54
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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