COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK086731
Chemical Name: methyl4-{[(3-chloro-2-methylphenyl)carbamothioyl]amino}-4-oxobutanoate
Smiles: COC(=O)CCC(=O)NC(=S)Nc1cccc(c1C)Cl

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Molecular Weight: 314.79
Empirical Formula: C13H15ClN2O3S

Physical State: Dry powder
Available Amount: 122 mg

Lipinsky:
logP: 2.821
Rotatable bonds: 4
H-donors: 2
H-acceptors: 3
PSA: 99
Number of rings: 1

     

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