General Information of the Compound
| Compound ID |
CP0577015
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| Compound Name |
(3aS,6aS)-3-[4-[2-amino-4-(trifluoromethyl)pyrimidin-5-yl]-6-morpholin-4-ylpyrimidin-2-yl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]oxazol-2-one
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| Structure |
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| Formula |
C18H18F3N7O4
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| Molecular Weight |
453.381
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| Canonical SMILES |
Nc1ncc(-c2cc(nc(n2)N2[C@H]3COC[C@H]3OC2=O)N2CCOCC2)c(n1)C(F)(F)F
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| InChI |
InChI=1S/C18H18F3N7O4/c19-18(20,21)14-9(6-23-15(22)26-14)10-5-13(27-1-3-30-4-2-27)25-16(24-10)28-11-7-31-8-12(11)32-17(28)29/h5-6,11-12H,1-4,7-8H2,(H2,22,23,26)/t11-,12+/m0/s1
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| InChIKey |
BPIKMMDBFJECAI-NWDGAFQWSA-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