COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK087587
Chemical Name: 5-[(2,2-dimethylpropanoyl)amino]-N,N'-bis{4-[(4-nitrophenyl)sulfanyl]phenyl}benzene-1,3-dicarboxamide
Smiles: O=C(C(C)(C)C)Nc1cc(cc(c1)C(=O)Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-])C(=O)Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 721.81
Empirical Formula: C37H31N5O7S2

Physical State: Dry powder
Available Amount: 397 mg

Lipinsky:
logP: 7.488
Rotatable bonds: 2
H-donors: 3
H-acceptors: 7
PSA: 229
Number of rings: 5

     

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