COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK456177
Chemical Name: methyl4-ethyl-5-methyl-2-({[4-(pyrimidin-2-yl)piperazin-1-yl]carbonothioyl}amino)thiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)c2ncccn2)sc(c1CC)C

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Molecular Weight: 405.55
Empirical Formula: C18H23N5O2S2

Physical State: Dry powder
Available Amount: 241 mg

Lipinsky:
logP: 4.541
Rotatable bonds: 3
H-donors: 1
H-acceptors: 2
PSA: 130
Number of rings: 3

     

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