General Information of the Compound
| Compound ID |
CP0448936
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| Compound Name |
N-[2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]oxyphenyl]propanamide
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| Structure |
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| Formula |
C22H28N8O2
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| Molecular Weight |
436.52
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| Canonical SMILES |
CCC(=O)Nc1ccccc1Oc1nc(Nc2cc(C)[nH]n2)cc(n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C22H28N8O2/c1-4-21(31)23-16-7-5-6-8-17(16)32-22-25-18(24-19-13-15(2)27-28-19)14-20(26-22)30-11-9-29(3)10-12-30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,31)(H2,24,25,26,27,28)
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| InChIKey |
PUMIHMXZIPWOKU-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