COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK094270
Chemical Name: 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperidin-1-yl)phenyl]phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)N1CCCCC1

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Molecular Weight: 454.53
Empirical Formula: C27H26N4O3

Physical State: Dry powder
Available Amount: 548 mg

Lipinsky:
logP: 6.112
Rotatable bonds: 1
H-donors: 0
H-acceptors: 3
PSA: 81
Number of rings: 5

     

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