COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK634481
Chemical Name: methyl4-[({2-[2-(4-methylpiperazin-1-yl)ethyl]piperidin-1-yl}carbonothioyl)amino]benzoate
Smiles: COC(=O)c1ccc(cc1)NC(=S)N1CCCCC1CCN1CCN(CC1)C

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Molecular Weight: 404.58
Empirical Formula: C21H32N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.88
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 80
Number of rings: 3

     

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