General Information of the Compound
| Compound ID |
CP0136710
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| Compound Name |
8-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxy-N-hydroxyoctanamide
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| Structure |
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| Formula |
C29H31F2N5O6S
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| Molecular Weight |
615.659
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCCC(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C29H31F2N5O6S/c1-18-22-12-19(14-25(28(22)34-17-33-18)42-11-7-5-3-4-6-8-27(37)35-38)20-13-24(29(41-2)32-16-20)36-43(39,40)26-10-9-21(30)15-23(26)31/h9-10,12-17,36,38H,3-8,11H2,1-2H3,(H,35,37)
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| InChIKey |
WSPUWFLFRIFQSS-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