COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK737698
Chemical Name: 2-{(5Z)-5-[(2Z)-2-chloro-3-(4-nitrophenyl)prop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}pentanedioicacid
Smiles: OC(=O)CCC(N1C(=S)S/C(=C\C(=C\c2ccc(cc2)[N+](=O)[O-])\Cl)/C1=O)C(=O)O

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Molecular Weight: 456.88
Empirical Formula: C17H13ClN2O7S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 0.994
Rotatable bonds: 8
H-donors: 2
H-acceptors: 7
PSA: 198
Number of rings: 2

     

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