General Information of the Compound
| Compound ID |
CP0402473
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| Compound Name |
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-(2,4-difluorophenyl)-6-methylnicotinamide
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| Structure |
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| Formula |
C26H18F3N5O2
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| Molecular Weight |
489.457
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| Canonical SMILES |
Cc1ccc(C(=O)Nc2ccc(F)cc2F)c(Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)n1
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| InChI |
InChI=1S/C26H18F3N5O2/c1-14-2-5-18(26(35)34-21-6-3-15(27)12-19(21)28)25(32-14)33-16-4-7-23(20(29)13-16)36-22-9-11-31-24-17(22)8-10-30-24/h2-13H,1H3,(H,30,31)(H,32,33)(H,34,35)
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| InChIKey |
XBBHSQRCPYZLJS-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