COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK082525
Chemical Name: methyl3-{[6-(methylsulfonyl)-1,3-benzothiazol-2-yl]carbamoyl}-5-nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1sc2c(n1)ccc(c2)S(=O)(=O)C

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Molecular Weight: 435.44
Empirical Formula: C17H13N3O7S2

Physical State: Dry powder
Available Amount: 341 mg

Lipinsky:
logP: 1.933
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 184
Number of rings: 3

     

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