COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086116
Chemical Name: (2E)-3-(3-nitrophenyl)-N-[(2-phenyl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide
Smiles: S=C(Nc1ccc2c(c1)nc(o2)c1ccccc1)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 444.47
Empirical Formula: C23H16N4O4S

Physical State: Dry powder
Available Amount: 413 mg

Lipinsky:
logP: 5.489
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 145
Number of rings: 4

     

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