COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK070087
Chemical Name: (2E)-N-{[3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Smiles: S=C(Nc1cccc(c1)c1nc2c(o1)cc(cc2)C)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 458.5
Empirical Formula: C24H18N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 6.299
Rotatable bonds: 3
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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