COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064965
Chemical Name: 2-phenylethyl4-{[(4-chloro-3-nitrophenyl)carbamothioyl]amino}-4-oxobutanoate
Smiles: O=C(NC(=S)Nc1ccc(c(c1)[N+](=O)[O-])Cl)CCC(=O)OCCc1ccccc1

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Molecular Weight: 435.89
Empirical Formula: C19H18ClN3O5S

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 4.622
Rotatable bonds: 6
H-donors: 2
H-acceptors: 5
PSA: 145
Number of rings: 2

     

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