COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456144
Chemical Name: methyl4-ethyl-5-methyl-2-[({2-[2-(4-methyl-2-nitrophenoxy)propanoyl]hydrazinyl}carbonothioyl)amino]thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)NNC(=O)C(Oc2ccc(cc2[N+](=O)[O-])C)C)sc(c1CC)C

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Molecular Weight: 480.57
Empirical Formula: C20H24N4O6S2

Physical State: Dry powder
Available Amount: 414 mg

Lipinsky:
logP: 5.766
Rotatable bonds: 7
H-donors: 3
H-acceptors: 6
PSA: 194
Number of rings: 2

     

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