General Information of the Compound
| Compound ID |
CP0411771
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| Compound Name |
2-(hydroxymethyl)-N-[5-(trifluoromethyl)pyridin-2-yl]quinoline-8-carboxamide
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| Structure |
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| Formula |
C17H12F3N3O2
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| Molecular Weight |
347.296
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| Canonical SMILES |
OCc1ccc2cccc(C(=O)Nc3ccc(cn3)C(F)(F)F)c2n1
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| InChI |
InChI=1S/C17H12F3N3O2/c18-17(19,20)11-5-7-14(21-8-11)23-16(25)13-3-1-2-10-4-6-12(9-24)22-15(10)13/h1-8,24H,9H2,(H,21,23,25)
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| InChIKey |
XPLKXSHZIBJEBH-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