General Information of the Compound
| Compound ID |
CP0537154
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| Compound Name |
2-[4-[6-(5-fluoro-6-methoxypyridin-3-yl)-4-methylquinazolin-8-yl]oxybutylamino]-N-hydroxypyrimidine-5-carboxamide
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| Structure |
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| Formula |
C24H24FN7O4
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| Molecular Weight |
493.499
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| Canonical SMILES |
COc1ncc(cc1F)-c1cc(OCCCCNc2ncc(cn2)C(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C24H24FN7O4/c1-14-18-7-15(16-8-19(25)23(35-2)27-10-16)9-20(21(18)31-13-30-14)36-6-4-3-5-26-24-28-11-17(12-29-24)22(33)32-34/h7-13,34H,3-6H2,1-2H3,(H,32,33)(H,26,28,29)
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| InChIKey |
UIKJHSLORQNEGS-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