General Information of the Compound
| Compound ID |
CP0174499
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| Compound Name |
8-[(6,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
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| Structure |
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| Formula |
C26H27F2N3O5
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| Molecular Weight |
499.514
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| Canonical SMILES |
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N(C)C
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| InChI |
InChI=1S/C26H27F2N3O5/c1-15-13-31(5-6-34-15)23-12-22(32)19-9-16(26(33)29(2)3)8-17(24(19)36-23)14-30-4-7-35-25-20(28)10-18(27)11-21(25)30/h8-12,15H,4-7,13-14H2,1-3H3/t15-/m1/s1
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| InChIKey |
KLYFMVNJPUCDKG-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