COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL552149
Chemical Name: (2R,3'E,6'R)-7-chloro-4,6-dimethoxy-6'-methyl-3'-[({3-oxo-3-[2-(pyridin-3-yl)piperidin-1-yl]propyl}amino)methylidene]-2'H,3H,4'H-spiro[1-benzofuran-2,1'-cyclohexane]-2',3,4'-trione
Smiles: COc1cc(OC)c(c2c1C(=O)[C@]1(O2)[C@H](C)CC(=O)/C(=C\NCCC(=O)N2CCCCC2c2cccnc2)/C1=O)Cl

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Molecular Weight: 582.05
Empirical Formula: C30H32ClN3O7

Physical State: Dry powder
Available Amount: 304 mg

Lipinsky:
logP: 3.716
Rotatable bonds: 6
H-donors: 1
H-acceptors: 7
PSA: 124
Number of rings: 5

     

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