COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK645393
Chemical Name: 4-{3-[4-(methylsulfanyl)phenyl]-5-(quinoxalin-6-yl)-4,5-dihydro-1H-pyrazol-1-yl}-4-oxobutanoicacid
Smiles: CSc1ccc(cc1)C1=NN(C(C1)c1ccc2c(c1)nccn2)C(=O)CCC(=O)O

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Molecular Weight: 420.49
Empirical Formula: C22H20N4O3S

Physical State: Dry powder
Available Amount: 308 mg

Lipinsky:
logP: 1.031
Rotatable bonds: 5
H-donors: 1
H-acceptors: 3
PSA: 121
Number of rings: 4

     

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