Synonyms: triflupromazine hydrochloride | Vesprin®
triflupromazine is an approved drug (FDA (1957))
Comment: Triflupromazine is a phenothiazine class antipsychotic drug.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors
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2
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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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31.78
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Molecular weight
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352.12
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XLogP
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5.23
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No. Lipinski's rules broken
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1
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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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CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C
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Isomeric SMILES
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CN(CCCN1c2ccccc2Sc2c1cc(cc2)C(F)(F)F)C
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InChI
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InChI=1S/C18H19F3N2S/c1-22(2)10-5-11-23-14-6-3-4-7-16(14)24-17-9-8-13(12-15(17)23)18(19,20)21/h3-4,6-9,12H,5,10-11H2,1-2H3
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InChI Key
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XSCGXQMFQXDFCW-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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