COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456567
Chemical Name: methyl4-ethyl-2-[({4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}carbonothioyl)amino]-5-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)Cc2cnn(c2C)CC)sc(c1CC)C

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Molecular Weight: 449.64
Empirical Formula: C21H31N5O2S2

Physical State: Dry powder
Available Amount: 93 mg

Lipinsky:
logP: 4.271
Rotatable bonds: 5
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 3

     

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