General Information of the Compound
| Compound ID |
CP0468579
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| Compound Name |
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2-(2-hydroxyethyl)phenyl)nicotinamide
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| Structure |
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| Formula |
C27H22FN5O3
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| Molecular Weight |
483.503
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| Canonical SMILES |
OCCc1ccccc1NC(=O)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1
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| InChI |
InChI=1S/C27H22FN5O3/c28-21-16-18(7-8-24(21)36-23-10-14-31-25-19(23)9-13-30-25)32-26-20(5-3-12-29-26)27(35)33-22-6-2-1-4-17(22)11-15-34/h1-10,12-14,16,34H,11,15H2,(H,29,32)(H,30,31)(H,33,35)
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| InChIKey |
TZKKFIHYCVSIQC-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