COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK143067
Chemical Name: 5-(4-methylphenyl)-2-[({2-[4-(phenylcarbonyl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Smiles: Cc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C(=O)c2ccccc2)/C(=O)C1

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Molecular Weight: 445.56
Empirical Formula: C27H31N3O3

Physical State: Dry powder
Available Amount: 206 mg

Lipinsky:
logP: 1.896
Rotatable bonds: 2
H-donors: 1
H-acceptors: 3
PSA: 69
Number of rings: 4

     

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