CFam Chemical Families Database
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You are searching for "CFAMM00312004" in compound.

Total 1 results found.

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 CFAMM00312004
Family CFFBM476 Prothrombin and Tissue-type plasminogen activator inhibitor CHEMBL96376 family
Superfamily CFSCD148 Growth hormone secretagogue receptor type 1 Ligand TZP-101 Superfamily
Class CFCAD412 Class 412
External ID CHEMBL391302 External Source CHEMBL
PubChem CID 44431524 Functional Category Bioactive
Molecule Name SureCN4587962
IUPAC Name N-(2-aminoethyl)-5-chloro-2-[2-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-2-oxoethoxy]benzamide
Synonyms CHEBI:495922
InChi InChI=1S/C24H30ClFN4O3/c1-16-13-30(17(2)12-29(16)14-18-3-6-20(26)7-4-18)23(31)15-33-22-8-5-19(25)11-21(22)24(32)28-10-9-27/h3-8,11,16-17H,9-10,12-15,27H2,1-2H3,(H,28,32)/t16-,17+/m0/s1
InChiKey LDTGCHHJRLKARY-DLBZAZTESA-N
Formula C24H30ClFN4O3 Molecular Weight 476.97
Cross Link CHEMBL391302
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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Deputy Director of Center for Computational Science and Engineering
Professor in Department of Pharmacy
National University of Singapore, Singapore


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