COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK618311
Chemical Name: (2Z)-2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-ylcyclohexanecarboxylate
Smiles: O=C(C1CCCCC1)Oc1ccc2c(c1)O/C(=C\c1cc(Cl)cc3c1OCOC3)/C2=O

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Molecular Weight: 440.88
Empirical Formula: C24H21ClO6

Physical State: Dry powder
Available Amount: 400 mg

Lipinsky:
logP: 4.823
Rotatable bonds: 4
H-donors: 0
H-acceptors: 6
PSA: 71
Number of rings: 5

     

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