General Information of the Compound
| Compound ID |
CP0497794
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| Compound Name |
3-(1,3-benzodioxol-5-yl)-1-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-(2-hydroxy-4,6-dimethoxyphenyl)propan-1-one
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| Structure |
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| Formula |
C24H29NO7
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| Molecular Weight |
443.496
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| Canonical SMILES |
COc1cc(O)c(C(CC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccc3OCOc3c2)c(OC)c1
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| InChI |
InChI=1S/C24H29NO7/c1-14-11-25(12-15(2)32-14)23(27)10-18(16-5-6-20-21(7-16)31-13-30-20)24-19(26)8-17(28-3)9-22(24)29-4/h5-9,14-15,18,26H,10-13H2,1-4H3/t14-,15+,18?
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| InChIKey |
PLNPXYQHYDMAGY-MVVMVCHASA-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