General Information of the Compound
| Compound ID |
CP0361156
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| Compound Name |
methyl 2-[(3S)-7-fluoro-4-(3-oxo-4H-1,4-benzoxazine-6-carbonyl)-2,3-dihydro-1,4-benzoxazin-3-yl]acetate
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| Structure |
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| Formula |
C20H17FN2O6
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| Molecular Weight |
400.362
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| Canonical SMILES |
COC(=O)C[C@H]1COc2cc(F)ccc2N1C(=O)c1ccc2OCC(=O)Nc2c1
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| InChI |
InChI=1S/C20H17FN2O6/c1-27-19(25)8-13-9-28-17-7-12(21)3-4-15(17)23(13)20(26)11-2-5-16-14(6-11)22-18(24)10-29-16/h2-7,13H,8-10H2,1H3,(H,22,24)/t13-/m0/s1
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| InChIKey |
PLEGOBVEGCXMTF-ZDUSSCGKSA-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