General Information of the Compound
| Compound ID |
CP0136709
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| Compound Name |
2-[2-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxypyridin-3-yl]-4-methylquinazolin-8-yl]oxyethyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C29H26F2N8O6S
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| Molecular Weight |
652.64
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| Canonical SMILES |
COc1ncc(cc1NS(=O)(=O)c1ccc(F)cc1F)-c1cc(OCCN(C)c2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C29H26F2N8O6S/c1-16-21-8-17(18-9-23(28(44-3)32-12-18)38-46(42,43)25-5-4-20(30)11-22(25)31)10-24(26(21)36-15-35-16)45-7-6-39(2)29-33-13-19(14-34-29)27(40)37-41/h4-5,8-15,38,41H,6-7H2,1-3H3,(H,37,40)
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| InChIKey |
WTDAWRRTRLJPIO-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