General Information of the Compound
| Compound ID |
CP0486925
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| Compound Name |
8-Methyl-1-[1-(naphthalene-1-sulfonyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
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| Structure |
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| Formula |
C24H24N2O4S
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| Molecular Weight |
436.533
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| Canonical SMILES |
Cc1cccc2COC(=O)N(C3CCN(CC3)S(=O)(=O)c3cccc4ccccc34)c12
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| InChI |
InChI=1S/C24H24N2O4S/c1-17-6-4-9-19-16-30-24(27)26(23(17)19)20-12-14-25(15-13-20)31(28,29)22-11-5-8-18-7-2-3-10-21(18)22/h2-11,20H,12-16H2,1H3
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| InChIKey |
CQOGVGNMAYDRNH-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