Synonyms: LY 466195 | LY-466195
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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6
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Hydrogen bond donors
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3
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Rotatable bonds
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4
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Topological polar surface area
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89.87
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Molecular weight
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346.17
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XLogP
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1.38
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No. Lipinski's rules broken
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0
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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SMILES / InChI / InChIKey
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Canonical SMILES
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OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F
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Isomeric SMILES
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OC(=O)C1NCC2C(C1)CC(CC2)CN1CC(CC1C(=O)O)(F)F
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InChI
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InChI=1S/C16H24F2N2O4/c17-16(18)5-13(15(23)24)20(8-16)7-9-1-2-10-6-19-12(14(21)22)4-11(10)3-9/h9-13,19H,1-8H2,(H,21,22)(H,23,24)
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InChI Key
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OXQXJYQSWZFDBB-UHFFFAOYSA-N
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Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
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