General Information of the Compound
| Compound ID |
CP0072052
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| Compound Name |
4-(1,7-dimethylpyrrolo[2,3-c]pyridin-3-yl)-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
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| Structure |
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| Formula |
C25H29N7O
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| Molecular Weight |
443.555
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| Canonical SMILES |
COc1cc(ccc1Nc1nccc(n1)-c1cn(C)c2c(C)nccc12)N1CCN(C)CC1
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| InChI |
InChI=1S/C25H29N7O/c1-17-24-19(7-9-26-17)20(16-31(24)3)21-8-10-27-25(28-21)29-22-6-5-18(15-23(22)33-4)32-13-11-30(2)12-14-32/h5-10,15-16H,11-14H2,1-4H3,(H,27,28,29)
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| InChIKey |
DSAZIMVNBOYSQB-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
Protein ID: PT00874, Cyclin-dependent kinase 2
Protein ID: PT01056, Dual specificity tyrosine-phosphorylation-regulated kinase 1B