COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458645
Chemical Name: methyl3-chloro-6-({[4-(methylsulfonyl)piperazin-1-yl]carbonothioyl}amino)-1-benzothiophene-2-carboxylate
Smiles: COC(=O)c1sc2c(c1Cl)ccc(c2)NC(=S)N1CCN(CC1)S(=O)(=O)C

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Molecular Weight: 447.99
Empirical Formula: C16H18ClN3O4S3

Physical State: Dry powder
Available Amount: 351 mg

Lipinsky:
logP: 2.786
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 3

     

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