General Information of the Compound
| Compound ID |
CP0115604
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| Compound Name |
7-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxy-N-hydroxyheptanamide
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| Structure |
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| Formula |
C28H29F2N5O6S
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| Molecular Weight |
601.632
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C28H29F2N5O6S/c1-17-21-11-18(13-24(27(21)33-16-32-17)41-10-6-4-3-5-7-26(36)34-37)19-12-23(28(40-2)31-15-19)35-42(38,39)25-9-8-20(29)14-22(25)30/h8-9,11-16,35,37H,3-7,10H2,1-2H3,(H,34,36)
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| InChIKey |
UGMQLNOFTXSPRA-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