COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK041180
Chemical Name: methyl3-nitro-5-({5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}carbamoyl)benzoate
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)Nc1ncc(s1)S(=O)(=O)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 492.45
Empirical Formula: C18H12N4O9S2

Physical State: Dry powder
Available Amount: 594 mg

Lipinsky:
logP: 2.882
Rotatable bonds: 4
H-donors: 1
H-acceptors: 9
PSA: 230
Number of rings: 3

     

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