CFam Chemical Families Database
BIDD Pharmainformatics Databases
 
   
You are searching for "CFAMM00170870" 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 CFAMM00170870
Family CFFCD745 Plinabulin family
Superfamily CFSCD656 Plinabulin Superfamily
Class CFCAD715 Class 715
External ID DNCL002638 External Source TTD
PubChem CID 9949641 Functional Category Clinical Trial Drug
Molecule Name Plinabulin
IUPAC Name (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione
Synonyms NPI-2358;714272-27-2;NPI 2358;Plinabulin, NPI2358, 714272-27-2;Plinabulin, NPI2358, NPI-2358;S1176_Selleck;Plinabulin (USAN/INN);Plinabulin [USAN:INN];SureCN79095;KPU-2
InChi InChI=1S/C19H20N4O2/c1-19(2,3)16-13(20-11-21-16)10-15-18(25)22-14(17(24)23-15)9-12-7-5-4-6-8-12/h4-11H,1-3H3,(H,20,21)(H,22,25)(H,23,24)/b14-9-,15-10-
InChiKey UNRCMCRRFYFGFX-TYPNBTCFSA-N
Formula C19H20N4O2 Molecular Weight 336.39
Cross Link CHEMBL1096380
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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