COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446304
Chemical Name: methyl3-chloro-6-({[4-(2-hydroxyphenyl)piperazin-1-yl]carbonothioyl}amino)-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)c1ccccc1O

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Molecular Weight: 461.99
Empirical Formula: C21H20ClN3O3S2

Physical State: Dry powder
Available Amount: 454 mg

Lipinsky:
logP: 3.854
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 125
Number of rings: 4

     

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