COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL037499
Chemical Name: 3-[(4-{4-methyl-3-[(4-methylpiperazin-4-ium-1-yl)sulfonyl]phenyl}phthalazin-1-yl)amino]phenolate
Smiles: C[NH+]1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1cccc(c1)[O-]

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Molecular Weight: 489.6
Empirical Formula: C26H27N5O3S

Physical State: Dry powder
Available Amount: 305 mg

Lipinsky:
logP: 3.829
Rotatable bonds: 2
H-donors: 2
H-acceptors: 3
PSA: 111
Number of rings: 5

     

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