General Information of the Compound
| Compound ID |
CP0919063
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| Compound Name |
1-(3-Tert-butyl-1-(4-fluorophenyl)-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 |
C27H25FN6O3
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| Molecular Weight |
500.534
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccc(F)cc2)n1
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| InChI |
InChI=1S/C27H25FN6O3/c1-27(2,3)22-15-23(34(33-22)18-12-10-16(28)11-13-18)31-25(35)29-17-6-4-7-19(14-17)37-21-9-5-8-20-24(21)32-26(36)30-20/h4-15H,1-3H3,(H2,29,31,35)(H2,30,32,36)
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| InChIKey |
YCNRRZMWIXOTRY-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