General Information of the Compound
| Compound ID |
CP0535585
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| Compound Name |
9-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxy-N-hydroxynonanamide
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| Structure |
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| Formula |
C30H33F2N5O6S
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| Molecular Weight |
629.686
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCCC(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C30H33F2N5O6S/c1-19-23-13-20(15-26(29(23)35-18-34-19)43-12-8-6-4-3-5-7-9-28(38)36-39)21-14-25(30(42-2)33-17-21)37-44(40,41)27-11-10-22(31)16-24(27)32/h10-11,13-18,37,39H,3-9,12H2,1-2H3,(H,36,38)
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| InChIKey |
PVOSCHGFJJXMIX-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