COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL046065
Chemical Name: 2,4-dimethyl-N-[(1E)-4-{4-methyl-3-[(4-methylpiperazin-1-yl)sulfonyl]phenyl}phthalazin-1(2H)-ylidene]aniline
Smiles: CN1CCN(CC1)S(=O)(=O)c1cc(ccc1C)c1n[nH]/c(=N/c2ccc(cc2C)C)/c2c1cccc2

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Molecular Weight: 501.65
Empirical Formula: C28H31N5O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 5.469
Rotatable bonds: 2
H-donors: 1
H-acceptors: 2
PSA: 85
Number of rings: 5

     

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