General Information of the Compound
| Compound ID |
CP0504320
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| Compound Name |
1-(5-tert-butyl-2-propylpyrazol-3-yl)-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C23H27N7O3
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| Molecular Weight |
449.515
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| Canonical SMILES |
CCCn1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3[nH]c(=O)[nH]c23)cc1)C(C)(C)C
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| InChI |
InChI=1S/C23H27N7O3/c1-5-12-30-18(13-17(29-30)23(2,3)4)26-21(31)25-14-6-8-15(9-7-14)33-16-10-11-24-20-19(16)27-22(32)28-20/h6-11,13H,5,12H2,1-4H3,(H2,25,26,31)(H2,24,27,28,32)
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| InChIKey |
YMYKJEXCZOHXBF-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