General Information of the Compound
| Compound ID |
CP0491725
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| Compound Name |
N-[3-[(5-chloro-4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]-4-methoxyphenyl]prop-2-enamide
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| Structure |
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| Formula |
C21H17ClN6O2
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| Molecular Weight |
420.86
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| Canonical SMILES |
COc1ccc(NC(=O)C=C)cc1Nc1ncc(Cl)c(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C21H17ClN6O2/c1-3-19(29)25-13-7-8-18(30-2)16(10-13)26-21-23-12-15(22)20(27-21)14-11-24-28-9-5-4-6-17(14)28/h3-12H,1H2,2H3,(H,25,29)(H,23,26,27)
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| InChIKey |
ZHNZZAFDNOFVRY-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