General Information of the Compound
| Compound ID |
CP0516610
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| Compound Name |
N-[3,5-bis(trifluoromethyl)phenyl]-8-hydroxy-3,4-dihydro-2H-quinoline-1-carboxamide
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| Structure |
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| Formula |
C18H14F6N2O2
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| Molecular Weight |
404.31
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| Canonical SMILES |
Oc1cccc2CCCN(C(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)c12
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| InChI |
InChI=1S/C18H14F6N2O2/c19-17(20,21)11-7-12(18(22,23)24)9-13(8-11)25-16(28)26-6-2-4-10-3-1-5-14(27)15(10)26/h1,3,5,7-9,27H,2,4,6H2,(H,25,28)
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| InChIKey |
SGBVBNGLCNCGEZ-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