General Information of the Compound
| Compound ID |
CP0473937
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| Compound Name |
8-[(6,8-difluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methyl]-2-[(2R)-2-methylmorpholin-4-yl]-6-(morpholine-4-carbonyl)chromen-4-one
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| Structure |
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| Formula |
C28H29F2N3O6
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| Molecular Weight |
541.551
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| Canonical SMILES |
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cc(F)cc34)c2o1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C28H29F2N3O6/c1-17-15-33(5-8-37-17)25-14-24(34)21-11-18(28(35)31-2-6-36-7-3-31)10-19(26(21)39-25)16-32-4-9-38-27-22(30)12-20(29)13-23(27)32/h10-14,17H,2-9,15-16H2,1H3/t17-/m1/s1
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| InChIKey |
LTEDMYALSIJUBN-QGZVFWFLSA-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