COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL089211
Chemical Name: methyl4-(4-methylpiperazin-1-yl)-3-[({[4-(2-methylpropoxy)phenyl]carbonyl}carbamothioyl)amino]benzoate
Smiles: COC(=O)c1ccc(c(c1)NC(=S)NC(=O)c1ccc(cc1)OCC(C)C)N1CCN(CC1)C

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Molecular Weight: 484.62
Empirical Formula: C25H32N4O4S

Physical State: Dry powder
Available Amount: 100 mg

Lipinsky:
logP: 4.302
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 115
Number of rings: 3

     

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