COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK457630
Chemical Name: methyl6-({[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]carbonothioyl}amino)-3-chloro-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)Cc1ccc2c(c1)OCO2

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Molecular Weight: 504.03
Empirical Formula: C23H22ClN3O4S2

Physical State: Dry powder
Available Amount: 698 mg

Lipinsky:
logP: 4.68
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 123
Number of rings: 5

     

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