COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK859997
Chemical Name: 1,1-dioxido-3-(phenylcarbonyl)-2-(prop-2-en-1-yl)-2H-1,2-benzothiazin-4-yl4-nitrobenzoate
Smiles: C=CCN1C(=C(OC(=O)c2ccc(cc2)[N+](=O)[O-])c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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Molecular Weight: 490.49
Empirical Formula: C25H18N2O7S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 6.052
Rotatable bonds: 5
H-donors: 0
H-acceptors: 7
PSA: 134
Number of rings: 4

     

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