COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455669
Chemical Name: 1-[(1,3-diphenyl-1H-pyrazol-4-yl)methyl]-3-(2-methoxy-4-nitrophenyl)thiourea
Smiles: COc1cc(ccc1NC(=S)NCc1cn(nc1c1ccccc1)c1ccccc1)[N+](=O)[O-]

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Molecular Weight: 459.53
Empirical Formula: C24H21N5O3S

Physical State: Dry powder
Available Amount: 337 mg

Lipinsky:
logP: 5.38
Rotatable bonds: 3
H-donors: 2
H-acceptors: 3
PSA: 129
Number of rings: 4

     

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