General Information of the Compound
| Compound ID |
CP0969573
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| Compound Name |
N-(2-(4-(2,4-difluorophenoxy)piperidin-1-yl)-5-(morpholinosulfonyl)pyridin-3-yl)-1-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide
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| Structure |
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| Formula |
C27H29F2N5O6S
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| Molecular Weight |
589.621
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| Canonical SMILES |
Cn1cccc(C(=O)Nc2cc(S(=O)(=O)N3CCOCC3)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c1=O
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| InChI |
InChI=1S/C27H29F2N5O6S/c1-32-8-2-3-21(27(32)36)26(35)31-23-16-20(41(37,38)34-11-13-39-14-12-34)17-30-25(23)33-9-6-19(7-10-33)40-24-5-4-18(28)15-22(24)29/h2-5,8,15-17,19H,6-7,9-14H2,1H3,(H,31,35)
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| InChIKey |
JNDCKUUUOCECMW-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