General Information of the Compound
| Compound ID |
CP0458164
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| Compound Name |
2-[[3-(4-cyanophenyl)-10-hydroxy-12-oxo-7-(trifluoromethoxy)-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 |
C22H14F3N3O7
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| Molecular Weight |
489.362
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| Canonical SMILES |
OC(=O)CNC(=O)c1c(O)c2cc(OC(F)(F)F)cc3OC(Cn(c23)c1=O)c1ccc(cc1)C#N
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| InChI |
InChI=1S/C22H14F3N3O7/c23-22(24,25)35-12-5-13-18-14(6-12)34-15(11-3-1-10(7-26)2-4-11)9-28(18)21(33)17(19(13)31)20(32)27-8-16(29)30/h1-6,15,31H,8-9H2,(H,27,32)(H,29,30)
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| InChIKey |
WKLDLAIFXJRTMG-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