General Information of the Compound
| Compound ID |
CP0970614
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| Compound Name |
2-(4,4-difluoro-3-(5-((2-hydroxyethylamino)methyl)-6-oxo-1,6-dihydropyridin-3-yl)piperidin-1-yl)-N-(5-(4-fluorophenoxy)pyridin-2-yl)propanamide
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| Structure |
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| Formula |
C27H30F3N5O4
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| Molecular Weight |
545.562
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| Canonical SMILES |
CC(C(=O)Nc1ccc(Oc2ccc(F)cc2)cn1)N1CCC(F)(F)C(c2c[nH]c(=O)c(CNCCO)c2)C1
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| InChI |
InChI=1S/C27H30F3N5O4/c1-17(25(37)34-24-7-6-22(15-32-24)39-21-4-2-20(28)3-5-21)35-10-8-27(29,30)23(16-35)18-12-19(13-31-9-11-36)26(38)33-14-18/h2-7,12,14-15,17,23,31,36H,8-11,13,16H2,1H3,(H,33,38)(H,32,34,37)
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| InChIKey |
HUNCOHOXANXUCG-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