COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK003953
Chemical Name: 4-(3,4-dimethylphenyl)-2-[5-(4-methylpiperazin-1-yl)-2-nitrophenyl]phthalazin-1(2H)-one
Smiles: CN1CCN(CC1)c1ccc(c(c1)n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)[N+](=O)[O-]

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Molecular Weight: 469.54
Empirical Formula: C27H27N5O3

Physical State: Dry powder
Available Amount: 467 mg

Lipinsky:
logP: 4.934
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 84
Number of rings: 5

     

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