Synonyms: VU 0238429 | VU-0238429
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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3
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Hydrogen bond donors
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0
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Rotatable bonds
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5
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Topological polar surface area
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55.84
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Molecular weight
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351.07
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XLogP
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3.52
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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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COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
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Isomeric SMILES
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COc1ccc(cc1)CN1c2ccc(cc2C(=O)C1=O)OC(F)(F)F
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InChI
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InChI=1S/C17H12F3NO4/c1-24-11-4-2-10(3-5-11)9-21-14-7-6-12(25-17(18,19)20)8-13(14)15(22)16(21)23/h2-8H,9H2,1H3
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InChI Key
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CKLGZXFOLMHCMC-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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