COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK157526
Chemical Name: 4-(3,4-dimethylphenyl)-2-[2-nitro-5-(piperazin-1-yl)phenyl]phthalazin-1(2H)-one
Smiles: [O-][N+](=O)c1ccc(cc1n1nc(c2ccc(c(c2)C)C)c2c(c1=O)cccc2)N1CCNCC1

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Molecular Weight: 455.52
Empirical Formula: C26H25N5O3

Physical State: Dry powder
Available Amount: 148 mg

Lipinsky:
logP: 4.243
Rotatable bonds: 1
H-donors: 1
H-acceptors: 3
PSA: 93
Number of rings: 5

     

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