COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457019
Chemical Name: methyl6-methyl-2-[({4-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}carbonothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)Cc2c(C)nn(c2C)C)sc2c1CCC(C2)C

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Molecular Weight: 475.68
Empirical Formula: C23H33N5O2S2

Physical State: Dry powder
Available Amount: 5 mg

Lipinsky:
logP: 4.926
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 122
Number of rings: 4

     

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