General Information of the Compound
| Compound ID |
CP0389114
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| Compound Name |
(E)-4-(dimethylamino)-N-[4-methoxy-3-[(5-methylsulfinyl-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 |
C25H27N7O3S
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| Molecular Weight |
505.604
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| Canonical SMILES |
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc([S+](C)[O-])c(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C25H27N7O3S/c1-31(2)12-7-9-23(33)28-17-10-11-21(35-3)19(14-17)29-25-26-16-22(36(4)34)24(30-25)18-15-27-32-13-6-5-8-20(18)32/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+
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| InChIKey |
WALUXXPDOYDGOU-VQHVLOKHSA-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