COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK458350
Chemical Name: 1-{3-[(4-bromo-3,5-dimethyl-1H-pyrazol-1-yl)methyl]phenyl}-3-(3,4-dimethoxyphenyl)thiourea
Smiles: COc1cc(ccc1OC)NC(=S)Nc1cccc(c1)Cn1nc(c(c1C)Br)C

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Molecular Weight: 475.41
Empirical Formula: C21H23BrN4O2S

Physical State: Dry powder
Available Amount: 444 mg

Lipinsky:
logP: 4.058
Rotatable bonds: 4
H-donors: 2
H-acceptors: 2
PSA: 92
Number of rings: 3

     

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