General Information of the Compound
| Compound ID |
CP0368939
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| Compound Name |
6-[(3R)-3,7-dimethyl-3-(methylsulfonylmethyl)-2H-1,4-benzoxazine-4-carbonyl]-4H-1,4-benzoxazin-3-one
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| Structure |
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| Formula |
C21H22N2O6S
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| Molecular Weight |
430.482
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| Canonical SMILES |
Cc1ccc2N(C(=O)c3ccc4OCC(=O)Nc4c3)[C@@](C)(CS(C)(=O)=O)COc2c1
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| InChI |
InChI=1S/C21H22N2O6S/c1-13-4-6-16-18(8-13)29-11-21(2,12-30(3,26)27)23(16)20(25)14-5-7-17-15(9-14)22-19(24)10-28-17/h4-9H,10-12H2,1-3H3,(H,22,24)/t21-/m1/s1
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| InChIKey |
AXOMYVRKJFDZJX-OAQYLSRUSA-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