General Information of the Compound
| Compound ID |
CP0516980
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(6-methoxypyrido[3,4-d]pyrimidin-4-yl)oxyphenyl]urea
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| Structure |
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| Formula |
C22H21FN6O4
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| Molecular Weight |
452.446
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| Canonical SMILES |
COc1cc2c(Oc3ccc(NC(=O)Nc4cc(on4)C(C)(C)C)cc3F)ncnc2cn1
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| InChI |
InChI=1S/C22H21FN6O4/c1-22(2,3)17-9-18(29-33-17)28-21(30)27-12-5-6-16(14(23)7-12)32-20-13-8-19(31-4)24-10-15(13)25-11-26-20/h5-11H,1-4H3,(H2,27,28,29,30)
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| InChIKey |
XHJLUGIAFPMOMZ-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