COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK369171
Chemical Name: N-(2,2,2-trichloro-1-{[(3-nitrophenyl)carbamothioyl]amino}ethyl)hexanamide
Smiles: CCCCCC(=O)NC(C(Cl)(Cl)Cl)NC(=S)Nc1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 441.77
Empirical Formula: C15H19Cl3N4O3S

Physical State: Dry powder
Available Amount: 59 mg

Lipinsky:
logP: 5.218
Rotatable bonds: 6
H-donors: 3
H-acceptors: 3
PSA: 131
Number of rings: 1

     

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