General Information of the Compound
| Compound ID |
CP0559017
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| Compound Name |
2-[[10-hydroxy-12-oxo-2-[6-(trifluoromethyl)pyridin-3-yl]-4-oxa-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13),10-tetraene-11-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C20H14F3N3O6
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| Molecular Weight |
449.341
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| Canonical SMILES |
OC(=O)CNC(=O)c1c(O)c2cccc3OCC(c4ccc(nc4)C(F)(F)F)n(c23)c1=O
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| InChI |
InChI=1S/C20H14F3N3O6/c21-20(22,23)13-5-4-9(6-24-13)11-8-32-12-3-1-2-10-16(12)26(11)19(31)15(17(10)29)18(30)25-7-14(27)28/h1-6,11,29H,7-8H2,(H,25,30)(H,27,28)
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| InChIKey |
HCEPLKRFRYQEBZ-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
Protein ID: PT02612, Egl nine homolog 1
Protein ID: PT01988, Prolyl hydroxylase EGLN2
Protein ID: PT02885, Prolyl hydroxylase EGLN3