COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL147419
Chemical Name: 3-[(Z)-2-hydroxy-2-(3-methyl-5-phenylthiophen-2-yl)ethenyl]-7-nitro-2H-1,4-benzoxazin-2-one
Smiles: O=c1oc2cc(ccc2nc1/C=C(/c1sc(cc1C)c1ccccc1)\O)[N+](=O)[O-]

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Molecular Weight: 406.42
Empirical Formula: C21H14N2O5S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.801
Rotatable bonds: 3
H-donors: 1
H-acceptors: 5
PSA: 132
Number of rings: 4

     

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