General Information of the Compound
| Compound ID |
CP0389727
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| Compound Name |
1-[5-tert-butyl-2-(4-fluorophenyl)pyrazol-3-yl]-3-[4-[(2-oxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)oxy]naphthalen-1-yl]urea
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| Structure |
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| Formula |
C30H26FN7O3
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| Molecular Weight |
551.582
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]c(=O)[nH]c34)c3ccccc23)n(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C30H26FN7O3/c1-30(2,3)24-16-25(38(37-24)18-10-8-17(31)9-11-18)34-28(39)33-21-12-13-22(20-7-5-4-6-19(20)21)41-23-14-15-32-27-26(23)35-29(40)36-27/h4-16H,1-3H3,(H2,33,34,39)(H2,32,35,36,40)
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| InChIKey |
KFYTYSBDIIRVNL-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