COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL357468
Chemical Name: 2-[({2-[4-(3-oxo-1,3-dihydro-2-benzofuran-1-yl)piperazin-1-yl]ethyl}amino)methylidene]-5-phenylcyclohexane-1,3-dione
Smiles: O=C1CC(CC(=O)/C/1=C\NCCN1CCN(CC1)C1OC(=O)c2c1cccc2)c1ccccc1

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Molecular Weight: 459.55
Empirical Formula: C27H29N3O4

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: 1.256
Rotatable bonds: 2
H-donors: 1
H-acceptors: 4
PSA: 78
Number of rings: 5

     

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