COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK402490
Chemical Name: 4-(1,3-benzodioxol-5-yl)-7-(4-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Smiles: COc1ccc(cc1)C1CC(=O)C2=C(C1)NC(=C(C2c1ccc2c(c1)OCO2)C#N)C

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Molecular Weight: 414.46
Empirical Formula: C25H22N2O4

Physical State: Dry powder
Available Amount: 150 mg

Lipinsky:
logP: 3.231
Rotatable bonds: 1
H-donors: 1
H-acceptors: 4
PSA: 80
Number of rings: 5

     

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