COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK149868
Chemical Name: 5-(4-methylphenyl)-2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]cyclohexane-1,3-dione
Smiles: Cc1ccc(cc1)C1CC(=O)/C(=C/NCCN2CCN(CC2)C2OC(=O)c3c2cccc3)/C(=O)C1

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Molecular Weight: 473.57
Empirical Formula: C28H31N3O4

Physical State: Dry powder
Available Amount: 60 mg

Lipinsky:
logP: 1.716
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 78
Number of rings: 5

     

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