COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK099408
Chemical Name: (2E)-3-(1,3-benzodioxol-5-yl)-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}prop-2-enamide
Smiles: O=C(Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-])/C=C/c1ccc2c(c1)OCO2

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Molecular Weight: 459.46
Empirical Formula: C19H13N3O7S2

Physical State: Dry powder
Available Amount: 289 mg

Lipinsky:
logP: 3.312
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 177
Number of rings: 4

     

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