General Information of the Compound
| Compound ID |
CP0421538
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| Compound Name |
2-(aminomethyl)-6-(2-(trifluoromethyl)pyrimidin-5-yl)quinolin-4(1H)-one hydrochloride
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| Structure |
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| Formula |
C15H11F3N4O
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| Molecular Weight |
320.274
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| Canonical SMILES |
NCc1cc(=O)c2cc(ccc2[nH]1)-c1cnc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C15H11F3N4O/c16-15(17,18)14-20-6-9(7-21-14)8-1-2-12-11(3-8)13(23)4-10(5-19)22-12/h1-4,6-7H,5,19H2,(H,22,23)
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| InChIKey |
FGVJELXEWQXDEY-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