COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK455832
Chemical Name: 1-[2-(3,4-dimethoxyphenyl)ethyl]-3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Smiles: COc1cc(CCNC(=S)Nc2c(C)n(n(c2=O)c2ccccc2)C)ccc1OC

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Molecular Weight: 426.54
Empirical Formula: C22H26N4O3S

Physical State: Dry powder
Available Amount: 500 mg

Lipinsky:
logP: 1.992
Rotatable bonds: 5
H-donors: 2
H-acceptors: 3
PSA: 98
Number of rings: 3

     

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