General Information of the Compound
| Compound ID |
CP0504245
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| Compound Name |
2-(4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)-3-fluorophenylamino)-N-phenylnicotinamide
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| Structure |
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| Formula |
C25H18FN5O2
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| Molecular Weight |
439.45
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| Canonical SMILES |
Fc1cc(Nc2ncccc2C(=O)Nc2ccccc2)ccc1Oc1ccnc2[nH]ccc12
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| InChI |
InChI=1S/C25H18FN5O2/c26-20-15-17(8-9-22(20)33-21-11-14-29-23-18(21)10-13-28-23)30-24-19(7-4-12-27-24)25(32)31-16-5-2-1-3-6-16/h1-15H,(H,27,30)(H,28,29)(H,31,32)
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| InChIKey |
PNHRJBVGFACIOV-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