General Information of the Compound
| Compound ID |
CP0507513
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| Compound Name |
1-(5-tert-butyl-2-phenylpyrazol-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 |
C27H27N7O3
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| Molecular Weight |
497.559
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| Canonical SMILES |
Cn1c2c(Oc3ccc(NC(=O)Nc4cc(nn4-c4ccccc4)C(C)(C)C)cc3)ccnc2[nH]c1=O
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| InChI |
InChI=1S/C27H27N7O3/c1-27(2,3)21-16-22(34(32-21)18-8-6-5-7-9-18)30-25(35)29-17-10-12-19(13-11-17)37-20-14-15-28-24-23(20)33(4)26(36)31-24/h5-16H,1-4H3,(H,28,31,36)(H2,29,30,35)
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| InChIKey |
IGIJSSSOQUNKKG-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