General Information of the Compound
| Compound ID |
CP0491014
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| Compound Name |
8-[(8-fluoro-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 |
C28H30FN3O6
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| Molecular Weight |
523.561
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| Canonical SMILES |
C[C@@H]1CN(CCO1)c1cc(=O)c2cc(cc(CN3CCOc4c(F)cccc34)c2o1)C(=O)N1CCOCC1
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| InChI |
InChI=1S/C28H30FN3O6/c1-18-16-32(8-11-36-18)25-15-24(33)21-14-19(28(34)30-5-9-35-10-6-30)13-20(26(21)38-25)17-31-7-12-37-27-22(29)3-2-4-23(27)31/h2-4,13-15,18H,5-12,16-17H2,1H3/t18-/m1/s1
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| InChIKey |
GQXSZGLSPJERMC-GOSISDBHSA-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