General Information of the Compound
| Compound ID |
CP0577684
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| Compound Name |
5-[6-(7-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C21H23N7O3
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| Molecular Weight |
421.461
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| Canonical SMILES |
COc1ccc2N(CCOc2c1)c1cc(nc(n1)N1CCOCC1)-c1cnc(N)nc1
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| InChI |
InChI=1S/C21H23N7O3/c1-29-15-2-3-17-18(10-15)31-9-6-28(17)19-11-16(14-12-23-20(22)24-13-14)25-21(26-19)27-4-7-30-8-5-27/h2-3,10-13H,4-9H2,1H3,(H2,22,23,24)
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| InChIKey |
FWKLHCNLHRHFMM-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: PT07498, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform
Protein ID: PT06232, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform