General Information of the Compound
| Compound ID |
CP0375945
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| Compound Name |
1-[1-(5-Bromo-2-methoxy-benzenesulfonyl)-piperidin-4-yl]-8-methyl-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C21H23BrN2O5S
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| Molecular Weight |
495.395
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| Canonical SMILES |
COc1ccc(Br)cc1S(=O)(=O)N1CCC(CC1)N1C(=O)OCc2cccc(C)c12
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| InChI |
InChI=1S/C21H23BrN2O5S/c1-14-4-3-5-15-13-29-21(25)24(20(14)15)17-8-10-23(11-9-17)30(26,27)19-12-16(22)6-7-18(19)28-2/h3-7,12,17H,8-11,13H2,1-2H3
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| InChIKey |
XHYGTKAVJSVZCX-UHFFFAOYSA-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