General Information of the Compound
| Compound ID |
CP0115603
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| Compound Name |
2-[3-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxypropyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C30H28F2N8O6S
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| Molecular Weight |
666.667
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C30H28F2N8O6S/c1-17-22-9-18(19-10-24(29(45-3)33-13-19)39-47(43,44)26-6-5-21(31)12-23(26)32)11-25(27(22)37-16-36-17)46-8-4-7-40(2)30-34-14-20(15-35-30)28(41)38-42/h5-6,9-16,39,42H,4,7-8H2,1-3H3,(H,38,41)
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| InChIKey |
AQPHKWXZGQIZLN-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