COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK700159
Chemical Name: 1-(5,5-dimethyl-3-{[(E)-pyridin-3-ylmethylidene]amino}-2-thioxo-1,3-thiazolidin-4-yl)-1-hydroxy-3-(4-nitrophenyl)urea
Smiles: O=C(N(C1N(/N=C/c2cccnc2)C(=S)SC1(C)C)O)Nc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 446.51
Empirical Formula: C18H18N6O4S2

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 2.729
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 184
Number of rings: 3

     

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