General Information of the Compound
| Compound ID |
CP0374031
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| Compound Name |
1-(5-tert-butyl-2-pyridin-3-ylpyrazol-3-yl)-3-[4-[(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C26H26N8O3
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| Molecular Weight |
498.547
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| Canonical SMILES |
Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4cccnc4)C(C)(C)C)cc3)ccnc2[nH]c1=O
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| InChI |
InChI=1S/C26H26N8O3/c1-26(2,3)20-14-21(34(32-20)17-6-5-12-27-15-17)30-24(35)29-16-7-9-18(10-8-16)37-19-11-13-28-23-22(19)33(4)25(36)31-23/h5-15H,1-4H3,(H,28,31,36)(H2,29,30,35)
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| InChIKey |
JKZNDGIXWOYVAC-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