COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK995645
Chemical Name: 2- [(5Z)- 4- oxo- 5- (quinolin- 4- ylmethylidene)- 2- thioxo- 1,3- thiazolidin- 3- yl]pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C\c2ccnc3c2cccc3)/C1=O)C(=O)O

Download SD file Download MOL file View 3D-structure Show MSDS

Molecular Weight: 402.45
Empirical Formula: C18H14N2O5S2

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 1.133
Rotatable bonds: 8
H-donors: 2
H-acceptors: 5
PSA: 165
Number of rings: 3

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