COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL260221
Chemical Name: methyl3-nitro-5-[(6-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1sc2c(n1)ccc(c2)[N+](=O)[O-]

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Molecular Weight: 402.34
Empirical Formula: C16H10N4O7S

Physical State: Dry powder
Available Amount: 410 mg

Lipinsky:
logP: 3.381
Rotatable bonds: 3
H-donors: 1
H-acceptors: 7
PSA: 188
Number of rings: 3

     

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