COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL064564
Chemical Name: propan-2-yl(1-{[(4-nitrophenyl)carbonyl]carbamothioyl}-3-oxopiperazin-2-yl)acetate
Smiles: CC(OC(=O)CC1C(=O)NCCN1C(=S)NC(=O)c1ccc(cc1)[N+](=O)[O-])C

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Molecular Weight: 408.44
Empirical Formula: C17H20N4O6S

Physical State: Dry powder
Available Amount: 164 mg

Lipinsky:
logP: -0.158
Rotatable bonds: 4
H-donors: 2
H-acceptors: 6
PSA: 165
Number of rings: 2

     

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