COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK183267
Chemical Name: 2-({4-[(1E)-2-cyano-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-en-1-yl]phenoxy}methyl)benzonitrile
Smiles: N#C/C(=C\c1ccc(cc1)OCc1ccccc1C#N)/C(=O)N1CCN(CC1)c1ccccc1

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Molecular Weight: 448.52
Empirical Formula: C28H24N4O2

Physical State: Dry powder
Available Amount: 498 mg

Lipinsky:
logP: 3.627
Rotatable bonds: 3
H-donors: 0
H-acceptors: 2
PSA: 80
Number of rings: 4

     

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