General Information of the Compound
| Compound ID |
CP0470691
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[4-[3-(dimethylamino)pyrido[2,3-b]pyrazin-8-yl]oxy-2-fluorophenyl]urea
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| Structure |
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| Formula |
C29H29FN8O2
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| Molecular Weight |
540.603
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| Canonical SMILES |
CN(C)c1cnc2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c(F)c3)ccnc2n1
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| InChI |
InChI=1S/C29H29FN8O2/c1-29(2,3)23-16-24(38(36-23)18-9-7-6-8-10-18)35-28(39)33-21-12-11-19(15-20(21)30)40-22-13-14-31-27-26(22)32-17-25(34-27)37(4)5/h6-17H,1-5H3,(H2,33,35,39)
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| InChIKey |
YUHXATLIIACRDI-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