COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK446225
Chemical Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-(2,5-dimethylphenyl)-3-methylquinolin-4-yl]methanone
Smiles: Cc1ccc(c(c1)c1nc2ccccc2c(c1C)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

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Molecular Weight: 493.61
Empirical Formula: C31H31N3O3

Physical State: Dry powder
Available Amount: 223 mg

Lipinsky:
logP: 5.043
Rotatable bonds: 3
H-donors: 0
H-acceptors: 3
PSA: 54
Number of rings: 6

     

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