COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455106
Chemical Name: methyl2-[({4-[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]piperazin-1-yl}carbonothioyl)amino]-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Smiles: COC(=O)c1c(NC(=S)N2CCN(CC2)C(=O)c2sc3c(c2Cl)ccc(c3)Cl)sc(c1C)C(=O)N(C)C

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Molecular Weight: 599.58
Empirical Formula: C24H24Cl2N4O4S3

Physical State: Dry powder
Available Amount: 1200 mg

Lipinsky:
logP: 6.109
Rotatable bonds: 4
H-donors: 1
H-acceptors: 4
PSA: 170
Number of rings: 4

     

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