General Information of the Compound
| Compound ID |
CP0504514
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| Compound Name |
1-[5-tert-butyl-2-(4-methylphenyl)pyrazol-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 |
C29H30FN7O3
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| Molecular Weight |
543.603
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| Canonical SMILES |
Cc1ccc(cc1)-n1nc(cc1NC(=O)Nc1ccc(Oc2ccnc3n(C)c(=O)n(C)c23)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C29H30FN7O3/c1-17-7-9-18(10-8-17)37-24(16-23(34-37)29(2,3)4)33-27(38)32-21-12-11-19(15-20(21)30)40-22-13-14-31-26-25(22)35(5)28(39)36(26)6/h7-16H,1-6H3,(H2,32,33,38)
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| InChIKey |
HBCKZOYSBBEKCS-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