General Information of the Compound
| Compound ID |
CP0086017
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| Compound Name |
8-[(1R)-1-(3,4-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
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| Structure |
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| Formula |
C24H25F2N3O4
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| Molecular Weight |
457.477
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| Canonical SMILES |
C[C@@H](Nc1ccc(F)c(F)c1)c1cc(cc2c1oc(cc2=O)N1CCOCC1)C(=O)N(C)C
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| InChI |
InChI=1S/C24H25F2N3O4/c1-14(27-16-4-5-19(25)20(26)12-16)17-10-15(24(31)28(2)3)11-18-21(30)13-22(33-23(17)18)29-6-8-32-9-7-29/h4-5,10-14,27H,6-9H2,1-3H3/t14-/m1/s1
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| InChIKey |
UHDLRSYRMVRGIY-CQSZACIVSA-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