COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK489471
Chemical Name: methyl2-[({4-[(2,5-dichlorophenyl)sulfonyl]piperazin-1-yl}carbonothioyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCC(C2)C

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Molecular Weight: 562.56
Empirical Formula: C22H25Cl2N3O4S3

Physical State: Dry powder
Available Amount: 135 mg

Lipinsky:
logP: 7.052
Rotatable bonds: 3
H-donors: 1
H-acceptors: 4
PSA: 147
Number of rings: 4

     

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