COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094227
Chemical Name: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide
Smiles: O=C(c1ccc(c(c1)C)[N+](=O)[O-])Nc1nc2c(s1)C(=O)CC(C2)(C)C

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Molecular Weight: 359.41
Empirical Formula: C17H17N3O4S

Physical State: Dry powder
Available Amount: 127 mg

Lipinsky:
logP: 4.407
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 133
Number of rings: 3

     

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