General Information of the Compound
| Compound ID |
CP0468580
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| Compound Name |
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-5-bromo-N-(2,4-difluorophenyl)nicotinamide
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| Structure |
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| Formula |
C25H15BrF3N5O2
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| Molecular Weight |
554.326
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| Canonical SMILES |
Fc1ccc(NC(=O)c2cc(Br)cnc2Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c(F)c1
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| InChI |
InChI=1S/C25H15BrF3N5O2/c26-13-9-17(25(35)34-20-3-1-14(27)10-18(20)28)24(32-12-13)33-15-2-4-22(19(29)11-15)36-21-6-8-31-23-16(21)5-7-30-23/h1-12H,(H,30,31)(H,32,33)(H,34,35)
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| InChIKey |
JGWRDZMWZZWPDH-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