General Information of the Compound
| Compound ID |
CP0432326
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| Compound Name |
(E)-4-(dimethylamino)-N-[3-[(5-fluoro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]but-2-enamide
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| Structure |
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| Formula |
C24H24FN7O2
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| Molecular Weight |
461.501
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| Canonical SMILES |
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(F)c(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C24H24FN7O2/c1-31(2)11-6-8-22(33)28-16-9-10-21(34-3)19(13-16)29-24-26-15-18(25)23(30-24)17-14-27-32-12-5-4-7-20(17)32/h4-10,12-15H,11H2,1-3H3,(H,28,33)(H,26,29,30)/b8-6+
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| InChIKey |
FKHFNUOLPRKNAT-SOFGYWHQSA-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