General Information of the Compound
| Compound ID |
CP0490832
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| Compound Name |
4-(4-(2-aminopyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C22H15F3N6O2
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| Molecular Weight |
452.396
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| Canonical SMILES |
Nc1cc(Oc2ccc(Nc3ncncc3C(=O)Nc3ccc(F)cc3F)cc2F)ccn1
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| InChI |
InChI=1S/C22H15F3N6O2/c23-12-1-3-18(16(24)7-12)31-22(32)15-10-27-11-29-21(15)30-13-2-4-19(17(25)8-13)33-14-5-6-28-20(26)9-14/h1-11H,(H2,26,28)(H,31,32)(H,27,29,30)
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| InChIKey |
IBZVGXIEIDAUIV-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