General Information of the Compound
| Compound ID |
CP0372251
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| Compound Name |
4-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)nicotinamide
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| Structure |
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| Formula |
C23H16F3N5O2
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| Molecular Weight |
451.408
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| Canonical SMILES |
Nc1cc(Oc2ccc(Nc3ccncc3C(=O)Nc3ccc(F)cc3F)cc2F)ccn1
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| InChI |
InChI=1S/C23H16F3N5O2/c24-13-1-3-20(17(25)9-13)31-23(32)16-12-28-7-6-19(16)30-14-2-4-21(18(26)10-14)33-15-5-8-29-22(27)11-15/h1-12H,(H2,27,29)(H,28,30)(H,31,32)
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| InChIKey |
IJHYURKJHDVSGK-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