General Information of the Compound
| Compound ID |
CP0157702
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| Compound Name |
2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-6-propan-2-yloxy-2,3-dihydro-1,4-benzoxazin-3-yl]-N-methylacetamide
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| Structure |
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| Formula |
C23H24FN3O6
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| Molecular Weight |
457.458
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| Canonical SMILES |
CNC(=O)C[C@H]1COc2cc(F)c(OC(C)C)cc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C23H24FN3O6/c1-12(2)33-19-9-17-20(8-15(19)24)31-10-14(7-21(28)25-3)27(17)23(30)13-4-5-18-16(6-13)26-22(29)11-32-18/h4-6,8-9,12,14H,7,10-11H2,1-3H3,(H,25,28)(H,26,29)/t14-/m0/s1
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| InChIKey |
XFLYEUSUDVNPKL-AWEZNQCLSA-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