General Information of the Compound
| Compound ID |
CP0477989
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| Compound Name |
4-hydroxy-7-[4-(trifluoromethyl)phenyl]naphthalene-2-carboxylic acid
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| Structure |
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| Formula |
C18H11F3O3
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| Molecular Weight |
332.277
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| Canonical SMILES |
OC(=O)c1cc(O)c2ccc(cc2c1)-c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C18H11F3O3/c19-18(20,21)14-4-1-10(2-5-14)11-3-6-15-12(7-11)8-13(17(23)24)9-16(15)22/h1-9,22H,(H,23,24)
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| InChIKey |
KXCZWPBLAFRHPX-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT05244, P2Y purinoceptor 14
Protein ID: PT05434, P2Y purinoceptor 14
Protein ID: PT01026, Sodium-dependent noradrenaline transporter