General Information of the Compound
| Compound ID |
CP0389113
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| Compound Name |
N-[4-methoxy-2-(4-methylpiperazin-1-yl)-5-[(4-pyrazolo[1,5-a]pyridin-3-ylpyrimidin-2-yl)amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H28N8O2
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| Molecular Weight |
484.564
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| Canonical SMILES |
COc1cc(N2CCN(C)CC2)c(NC(=O)C=C)cc1Nc1nccc(n1)-c1cnn2ccccc12
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| InChI |
InChI=1S/C26H28N8O2/c1-4-25(35)29-20-15-21(24(36-3)16-23(20)33-13-11-32(2)12-14-33)31-26-27-9-8-19(30-26)18-17-28-34-10-6-5-7-22(18)34/h4-10,15-17H,1,11-14H2,2-3H3,(H,29,35)(H,27,30,31)
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| InChIKey |
DHWXPNDSNSKKOJ-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