COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK452490
Chemical Name: methyl4-(3,4-dimethylphenyl)-2-{[(2,4-dinitrophenyl)carbonyl]amino}-5-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=O)c2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])sc(c1c1ccc(c(c1)C)C)C

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Molecular Weight: 469.47
Empirical Formula: C22H19N3O7S

Physical State: Dry powder
Available Amount: 547 mg

Lipinsky:
logP: 6.464
Rotatable bonds: 4
H-donors: 1
H-acceptors: 7
PSA: 175
Number of rings: 3

     

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