COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK533773
Chemical Name: N'-(2,4-dinitrophenyl)-4-[(5Z)-5-(4-methylbenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanehydrazide
Smiles: O=C(NNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])CCCN1C(=S)S/C(=C\c2ccc(cc2)C)/C1=O

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Molecular Weight: 501.54
Empirical Formula: C21H19N5O6S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.127
Rotatable bonds: 5
H-donors: 2
H-acceptors: 6
PSA: 210
Number of rings: 3

     

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