General Information of the Compound
| Compound ID |
CP0443570
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| Compound Name |
1-(1-((3R,6S)-6-(2,3-difluorophenyl)-2-oxo-1-(2,2,2-trifluoroethyl)azepan-3-ylcarbamoyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridine 4-oxide
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| Formula |
C26H27F5N6O4
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| Molecular Weight |
582.53
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| Canonical SMILES |
[O-][n+]1cccc2n(C3CCN(CC3)C(=O)N[C@@H]3CC[C@H](CN(CC(F)(F)F)C3=O)c3cccc(F)c3F)c(=O)[nH]c12
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| InChI |
InChI=1S/C26H27F5N6O4/c27-18-4-1-3-17(21(18)28)15-6-7-19(23(38)35(13-15)14-26(29,30)31)32-24(39)34-11-8-16(9-12-34)37-20-5-2-10-36(41)22(20)33-25(37)40/h1-5,10,15-16,19H,6-9,11-14H2,(H,32,39)(H,33,40)/t15-,19-/m1/s1
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| InChIKey |
KGAACQRWZPEBBT-DNVCBOLYSA-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