General Information of the Compound
| Compound ID |
CP0378289
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| Compound Name |
1-[1-(Benzo[b]thiophene-3-sulfonyl)-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 |
C22H22N2O4S2
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| Molecular Weight |
442.562
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| Canonical SMILES |
Cc1cccc2COC(=O)N(C3CCN(CC3)S(=O)(=O)c3csc4ccccc34)c12
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| InChI |
InChI=1S/C22H22N2O4S2/c1-15-5-4-6-16-13-28-22(25)24(21(15)16)17-9-11-23(12-10-17)30(26,27)20-14-29-19-8-3-2-7-18(19)20/h2-8,14,17H,9-13H2,1H3
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| InChIKey |
ZGARBTWYNUXYBQ-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