COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL038176
Chemical Name: N-[(1E)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-ylidene]-1,3-benzodioxol-5-amine
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2ccc3c(c2)OCO3)/c2c1cccc2

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Molecular Weight: 517.61
Empirical Formula: C27H27N5O4S

Physical State: Dry powder
Available Amount: 55 mg

Lipinsky:
logP: 3.96
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 104
Number of rings: 6

     

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