COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455501
Chemical Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3-(2-methoxy-4-nitrophenyl)thiourea
Smiles: COc1cc(ccc1NC(=S)Nc1c(C)n(n(c1=O)c1ccccc1)C)[N+](=O)[O-]

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Molecular Weight: 413.46
Empirical Formula: C19H19N5O4S

Physical State: Dry powder
Available Amount: 358 mg

Lipinsky:
logP: 2.474
Rotatable bonds: 1
H-donors: 2
H-acceptors: 4
PSA: 134
Number of rings: 3

     

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