COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK848874
Chemical Name: methyl3-{[(2Z)-6-(methylsulfonyl)-1,3-benzothiazol-2(3H)-ylidene]carbamoyl}-5-nitrobenzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)/N=c\1/[nH]c2c(s1)cc(cc2)S(=O)(=O)C

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Molecular Weight: 435.44
Empirical Formula: C17H13N3O7S2

Physical State: Dry powder
Available Amount: 159 mg

Lipinsky:
logP: 2.07
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 181
Number of rings: 3

     

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