General Information of the Compound
| Compound ID |
CP0355792
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| Compound Name |
6-(2-aminopyrimidin-5-yl)-N-[6-(1-methylpiperidin-4-yl)oxypyridin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
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| Structure |
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| Formula |
C23H29N9O2
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| Molecular Weight |
463.546
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| Canonical SMILES |
CN1CCC(CC1)Oc1ccc(Nc2cc(nc(n2)N2CCOCC2)-c2cnc(N)nc2)cn1
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| InChI |
InChI=1S/C23H29N9O2/c1-31-6-4-18(5-7-31)34-21-3-2-17(15-25-21)28-20-12-19(16-13-26-22(24)27-14-16)29-23(30-20)32-8-10-33-11-9-32/h2-3,12-15,18H,4-11H2,1H3,(H2,24,26,27)(H,28,29,30)
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| InChIKey |
MOESDIGJHZXWDX-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: PT01045, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 140 nM
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