General Information of the Compound
| Compound ID |
CP0495561
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| Compound Name |
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]urea
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| Structure |
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| Formula |
C21H20FN5O3
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| Molecular Weight |
409.421
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)no1
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| InChI |
InChI=1S/C21H20FN5O3/c1-21(2,3)17-11-18(27-30-17)26-20(28)25-12-4-5-16(14(22)10-12)29-15-7-9-24-19-13(15)6-8-23-19/h4-11H,1-3H3,(H,23,24)(H2,25,26,27,28)
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| InChIKey |
OZLYWCFQUPJGPJ-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