General Information of the Compound
| Compound ID |
CP0045760
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| Compound Name |
1-(3-Tert-butyl-1-phenyl-1H-pyrazol-5-yl)-3-(3-(2-oxo-2,3-dihydro-1Himidazo[4,5-b]pyridin-7-yloxy)phenyl)urea
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| Structure |
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| Formula |
C27H26N6O3
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| Molecular Weight |
482.544
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(n1)-c1ccccc1
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| InChI |
InChI=1S/C27H26N6O3/c1-27(2,3)22-16-23(33(32-22)18-10-5-4-6-11-18)30-25(34)28-17-9-7-12-19(15-17)36-21-14-8-13-20-24(21)31-26(35)29-20/h4-16H,1-3H3,(H2,28,30,34)(H2,29,31,35)
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| InChIKey |
YLQMVIRZBOJBCV-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
Protein ID: PT01381, Serine/threonine-protein kinase B-raf