General Information of the Compound
| Compound ID |
CP0538534
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| Compound Name |
1-(2,5-ditert-butylpyrazol-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 |
C24H29N7O3
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| Molecular Weight |
463.542
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)cc2)n(n1)C(C)(C)C
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| InChI |
InChI=1S/C24H29N7O3/c1-23(2,3)17-13-18(31(30-17)24(4,5)6)27-21(32)26-14-7-9-15(10-8-14)34-16-11-12-25-20-19(16)28-22(33)29-20/h7-13H,1-6H3,(H2,26,27,32)(H2,25,28,29,33)
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| InChIKey |
WZJYDEUEPVUIQM-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