General Information of the Compound
| Compound ID |
CP0895522
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| Compound Name |
(2E)-3-[2-[(5-Amino-3-methylpyridin-2-yl)oxy]-4-(2-methoxyethoxy)phenyl]-N-(pentylsulfonyl)acrylamide dihydrochloride
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| Structure |
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| Formula |
C23H33Cl2N3O6S
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| Molecular Weight |
550.505
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| Canonical SMILES |
CCCCCS(=O)(=O)NC(=O)/C=C/c1ccc(OCCOC)cc1Oc1ncc(N)cc1C.Cl.Cl
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| InChI |
InChI=1S/C23H31N3O6S.2ClH/c1-4-5-6-13-33(28,29)26-22(27)10-8-18-7-9-20(31-12-11-30-3)15-21(18)32-23-17(2)14-19(24)16-25-23;;/h7-10,14-16H,4-6,11-13,24H2,1-3H3,(H,26,27);2*1H/b10-8+;;
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| InChIKey |
MEDZTVHOEVPCIK-PIHABLKOSA-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