General Information of the Compound
| Compound ID |
CP0361682
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| Compound Name |
6-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxy-N-hydroxyhexanamide
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| Structure |
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| Formula |
C27H27F2N5O6S
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| Molecular Weight |
587.605
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCC(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C27H27F2N5O6S/c1-16-20-10-17(12-23(26(20)32-15-31-16)40-9-5-3-4-6-25(35)33-36)18-11-22(27(39-2)30-14-18)34-41(37,38)24-8-7-19(28)13-21(24)29/h7-8,10-15,34,36H,3-6,9H2,1-2H3,(H,33,35)
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| InChIKey |
KLMHXDOTAKKHQU-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