COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064100
Chemical Name: methyl(1-{[(3-chloro-1-benzothiophen-2-yl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Smiles: COC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1sc2c(c1Cl)cccc2

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Molecular Weight: 425.92
Empirical Formula: C17H16ClN3O4S2

Physical State: Dry powder
Available Amount: 175 mg

Lipinsky:
logP: 1.262
Rotatable bonds: 4
H-donors: 2
H-acceptors: 4
PSA: 148
Number of rings: 3

     

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