General Information of the Compound
| Compound ID |
CP0115606
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| Compound Name |
4-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxy-N-hydroxybutanamide
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| Structure |
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| Formula |
C25H23F2N5O6S
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| Molecular Weight |
559.551
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCC(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C25H23F2N5O6S/c1-14-18-8-15(10-21(24(18)30-13-29-14)38-7-3-4-23(33)31-34)16-9-20(25(37-2)28-12-16)32-39(35,36)22-6-5-17(26)11-19(22)27/h5-6,8-13,32,34H,3-4,7H2,1-2H3,(H,31,33)
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| InChIKey |
WPGMPVQQAQXPTL-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