COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK148508
Chemical Name: (2E)-N-{[4-(4-chlorophenoxy)phenyl]carbamothioyl}-3-(3-nitrophenyl)prop-2-enamide
Smiles: O=C(NC(=S)Nc1ccc(cc1)Oc1ccc(cc1)Cl)/C=C/c1cccc(c1)[N+](=O)[O-]

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Molecular Weight: 453.91
Empirical Formula: C22H16ClN3O4S

Physical State: Dry powder
Available Amount: 362 mg

Lipinsky:
logP: 6.32
Rotatable bonds: 2
H-donors: 2
H-acceptors: 4
PSA: 128
Number of rings: 3

     

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