General Information of the Compound
| Compound ID |
CP0490062
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| Compound Name |
1-[1-(5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C22H21ClN2O4S2
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| Molecular Weight |
477.007
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| Canonical SMILES |
Cc1c(sc2ccc(Cl)cc12)S(=O)(=O)N1CCC(CC1)N1C(=O)OCc2ccccc12
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| InChI |
InChI=1S/C22H21ClN2O4S2/c1-14-18-12-16(23)6-7-20(18)30-21(14)31(27,28)24-10-8-17(9-11-24)25-19-5-3-2-4-15(19)13-29-22(25)26/h2-7,12,17H,8-11,13H2,1H3
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| InChIKey |
KJBRZKGIDGZCRK-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