General Information of the Compound
| Compound ID |
CP0533798
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| Compound Name |
2-[[10-hydroxy-12-oxo-3-[6-(trifluoromethyl)pyridin-3-yl]-1,4-diazatricyclo[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 |
C20H15F3N4O5
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| Molecular Weight |
448.357
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| Canonical SMILES |
OC(=O)CNC(=O)c1c(O)c2cccc3NC(Cn(c23)c1=O)c1ccc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C20H15F3N4O5/c21-20(22,23)13-5-4-9(6-24-13)12-8-27-16-10(2-1-3-11(16)26-12)17(30)15(19(27)32)18(31)25-7-14(28)29/h1-6,12,26,30H,7-8H2,(H,25,31)(H,28,29)
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| InChIKey |
VSGUVLRZXLNZOP-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