General Information of the Compound
| Compound ID |
CP0509300
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| Compound Name |
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(4-fluorophenyl)-N-methylnicotinamide
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| Structure |
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| Formula |
C26H19F2N5O2
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| Molecular Weight |
471.467
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| Canonical SMILES |
CN(C(=O)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H19F2N5O2/c1-33(18-7-4-16(27)5-8-18)26(34)20-3-2-12-29-25(20)32-17-6-9-23(21(28)15-17)35-22-11-14-31-24-19(22)10-13-30-24/h2-15H,1H3,(H,29,32)(H,30,31)
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| InChIKey |
NADOGWKFIHNFAG-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