General Information of the Compound
| Compound ID |
CP0874567
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| Compound Name |
5-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-1-(2-hydroxyethyl)-3,4-dihydroquinolin-2(1H)-one hydrochloride
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| Structure |
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| Formula |
C18H19ClF3N3O3
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| Molecular Weight |
417.815
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| Canonical SMILES |
Cl.NCc1cc(Oc2cccc3c2CCC(=O)N3CCO)nc(C(F)(F)F)c1
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| InChI |
InChI=1S/C18H18F3N3O3.ClH/c19-18(20,21)15-8-11(10-22)9-16(23-15)27-14-3-1-2-13-12(14)4-5-17(26)24(13)6-7-25;/h1-3,8-9,25H,4-7,10,22H2;1H
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| InChIKey |
VTGPNSIHKLHLLD-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