COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK172056
Chemical Name: 2-(5-{4-[(3,4-dimethoxyphenyl)sulfonyl]piperazin-1-yl}-2-nitrophenyl)-4-methylphthalazin-1(2H)-one
Smiles: COc1cc(ccc1OC)S(=O)(=O)N1CCN(CC1)c1ccc(c(c1)n1nc(C)c2c(c1=O)cccc2)[N+](=O)[O-]

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Molecular Weight: 565.61
Empirical Formula: C27H27N5O7S

Physical State: Dry powder
Available Amount: 353 mg

Lipinsky:
logP: 3.956
Rotatable bonds: 3
H-donors: 0
H-acceptors: 7
PSA: 145
Number of rings: 5

     

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