General Information of the Compound
| Compound ID |
CP0402313
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-3-yl)-3-[4-(1,3-dimethyl-2-oxoimidazo[4,5-b]pyridin-7-yl)oxy-2-fluorophenyl]urea
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| Structure |
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| Formula |
C28H28FN7O3
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| Molecular Weight |
529.576
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| Canonical SMILES |
Cn1c2nccc(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)c(F)c3)c2n(C)c1=O
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| InChI |
InChI=1S/C28H28FN7O3/c1-28(2,3)22-16-23(36(33-22)17-9-7-6-8-10-17)32-26(37)31-20-12-11-18(15-19(20)29)39-21-13-14-30-25-24(21)34(4)27(38)35(25)5/h6-16H,1-5H3,(H2,31,32,37)
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| InChIKey |
KYQYCORGDLOBLY-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