General Information of the Compound
| Compound ID |
CP0392443
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| Compound Name |
1-[1-(Benzo[b]thiophene-3-sulfonyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C21H20N2O4S2
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| Molecular Weight |
428.535
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| Canonical SMILES |
O=C1OCc2ccccc2N1C1CCN(CC1)S(=O)(=O)c1csc2ccccc12
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| InChI |
InChI=1S/C21H20N2O4S2/c24-21-23(18-7-3-1-5-15(18)13-27-21)16-9-11-22(12-10-16)29(25,26)20-14-28-19-8-4-2-6-17(19)20/h1-8,14,16H,9-13H2
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| InChIKey |
YODWHIXZDXJUBK-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