COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK799024
Chemical Name: (2E)-3-{3-[4-(hexyloxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-[(4-methylpiperazin-1-yl)carbonyl]prop-2-enenitrile
Smiles: CCCCCCOc1ccc(cc1)c1nn(cc1/C=C(/C(=O)N1CCN(CC1)C)\C#N)c1ccccc1

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Molecular Weight: 497.64
Empirical Formula: C30H35N5O2

Physical State: Dry powder
Available Amount: 97 mg

Lipinsky:
logP: 5.806
Rotatable bonds: 7
H-donors: 0
H-acceptors: 2
PSA: 74
Number of rings: 4

     

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