General Information of the Compound
| Compound ID |
CP0086021
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| Compound Name |
8-[(1R)-1-(3,5-difluoro-N-methylanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
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| Structure |
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| Formula |
C25H27F2N3O4
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| Molecular Weight |
471.504
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| Canonical SMILES |
C[C@@H](N(C)c1cc(F)cc(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
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| InChI |
InChI=1S/C25H27F2N3O4/c1-15(29(4)19-12-17(26)11-18(27)13-19)20-9-16(25(32)28(2)3)10-21-22(31)14-23(34-24(20)21)30-5-7-33-8-6-30/h9-15H,5-8H2,1-4H3/t15-/m1/s1
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| InChIKey |
YZPXOELSBMGYGO-OAHLLOKOSA-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
Protein ID: PT01033, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform