COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700140
Chemical Name: 1-hydroxy-1-(3-{[(E)-1H-indol-3-ylmethylidene]amino}-5,5-dimethyl-2-thioxo-1,3-thiazolidin-4-yl)-3-(4-nitrophenyl)urea
Smiles: O=C(N(C1N(/N=C/c2c[nH]c3c2cccc3)C(=S)SC1(C)C)O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 484.56
Empirical Formula: C21H20N6O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 3.725
Rotatable bonds: 4
H-donors: 3
H-acceptors: 4
PSA: 187
Number of rings: 4

     

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