COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK644730
Chemical Name: methyl2-[({4-[2-(2,5-dimethyl-1H-pyrrol-1-yl)ethyl]piperazin-1-yl}carbonothioyl)amino]benzoate
Smiles: COC(=O)c1ccccc1NC(=S)N1CCN(CC1)CCn1c(C)ccc1C

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Molecular Weight: 400.55
Empirical Formula: C21H28N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 4.096
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 81
Number of rings: 3

     

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