General Information of the Compound
| Compound ID |
CP0426650
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| Compound Name |
(E)-4-(dimethylamino)-N-[4-methoxy-3-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]but-2-enamide
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| Structure |
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| Formula |
C24H25N7O2
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| Molecular Weight |
443.511
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| Canonical SMILES |
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1nccc(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C24H25N7O2/c1-30(2)13-6-8-23(32)27-17-9-10-22(33-3)20(15-17)29-24-25-12-11-19(28-24)18-16-26-31-14-5-4-7-21(18)31/h4-12,14-16H,13H2,1-3H3,(H,27,32)(H,25,28,29)/b8-6+
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| InChIKey |
LCDZZELKQHAKCK-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