COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK548271
Chemical Name: 2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-[4-methyl-3-(piperidin-1-ylsulfonyl)phenyl]phthalazin-1(2H)-one
Smiles: CN1CCN(CC1)C(=O)Cn1nc(c2ccc(c(c2)S(=O)(=O)N2CCCCC2)C)c2c(c1=O)cccc2

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Molecular Weight: 523.66
Empirical Formula: C27H33N5O4S

Physical State: Dry powder
Available Amount: 312 mg

Lipinsky:
logP: 2.364
Rotatable bonds: 4
H-donors: 0
H-acceptors: 4
PSA: 101
Number of rings: 5

     

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