COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064975
Chemical Name: 2-phenylethyl4-[({4-[(4-methylpiperidin-1-yl)sulfonyl]phenyl}carbamothioyl)amino]-4-oxobutanoate
Smiles: CC1CCN(CC1)S(=O)(=O)c1ccc(cc1)NC(=S)NC(=O)CCC(=O)OCCc1ccccc1

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Molecular Weight: 517.67
Empirical Formula: C25H31N3O5S2

Physical State: Dry powder
Available Amount: 192 mg

Lipinsky:
logP: 4.782
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 3

     

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