COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL377634
Chemical Name: (2E)-N-[(6-methyl-2-phenyl-2H-benzotriazol-5-yl)carbamothioyl]-3-(3-nitrophenyl)prop-2-enamide
Smiles: S=C(Nc1cc2nn(nc2cc1C)c1ccccc1)NC(=O)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 458.5
Empirical Formula: C23H18N6O3S

Physical State: Dry powder
Available Amount: 39 mg

Lipinsky:
logP: 6.014
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 149
Number of rings: 4

     

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