COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL065004
Chemical Name: 2-phenylethyl(1-{[(3-nitrophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Smiles: O=C(CC1C(=O)NCCN1C(=S)NC(=O)c1cccc(c1)[N+](=O)[O-])OCCc1ccccc1

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Molecular Weight: 470.51
Empirical Formula: C22H22N4O6S

Physical State: Dry powder
Available Amount: 190 mg

Lipinsky:
logP: 1.035
Rotatable bonds: 6
H-donors: 2
H-acceptors: 6
PSA: 165
Number of rings: 3

     

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