COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK809776
Chemical Name: ethyl2-[({2,2,2-trichloro-1-[(phenylcarbonyl)amino]ethyl}carbamothioyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Smiles: CCOC(=O)c1c(NC(=S)NC(C(Cl)(Cl)Cl)NC(=O)c2ccccc2)sc2c1CCCC2

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Molecular Weight: 534.91
Empirical Formula: C21H22Cl3N3O3S2

Physical State: Dry powder
Available Amount: 104 mg

Lipinsky:
logP: 8.243
Rotatable bonds: 5
H-donors: 3
H-acceptors: 3
PSA: 139
Number of rings: 3

     

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