General Information of the Compound
| Compound ID |
CP0456898
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| Compound Name |
(E)-4-(dimethylamino)-N-[4-methoxy-3-[(5-methyl-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 |
C25H27N7O2
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| Molecular Weight |
457.538
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| Canonical SMILES |
COc1ccc(NC(=O)\C=C\CN(C)C)cc1Nc1ncc(C)c(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C25H27N7O2/c1-17-15-26-25(30-24(17)19-16-27-32-13-6-5-8-21(19)32)29-20-14-18(10-11-22(20)34-4)28-23(33)9-7-12-31(2)3/h5-11,13-16H,12H2,1-4H3,(H,28,33)(H,26,29,30)/b9-7+
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| InChIKey |
QWVDOEJGSQMFKO-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