General Information of the Compound
| Compound ID |
CP0905687
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| Compound Name |
3-((4-(Aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)-N-(4-methyl-2-oxo-2H-chromen-7-yl)benzamide hydrochloride
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| Structure |
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| Formula |
C24H19ClF3N3O4
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| Molecular Weight |
505.88
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| Canonical SMILES |
Cc1cc(=O)oc2cc(NC(=O)c3cccc(Oc4cc(CN)cc(C(F)(F)F)n4)c3)ccc12.Cl
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| InChI |
InChI=1S/C24H18F3N3O4.ClH/c1-13-7-22(31)34-19-11-16(5-6-18(13)19)29-23(32)15-3-2-4-17(10-15)33-21-9-14(12-28)8-20(30-21)24(25,26)27;/h2-11H,12,28H2,1H3,(H,29,32);1H
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| InChIKey |
KFYYXXDLPNNDIC-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