COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK635518
Chemical Name: methyl4-[({4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazin-1-yl}carbonothioyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCN(CC1)CC(=O)N1CCN(CC1)C

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Molecular Weight: 419.55
Empirical Formula: C20H29N5O3S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.221
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 100
Number of rings: 3

     

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