General Information of the Compound
| Compound ID |
CP0469758
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((4-methoxybenzylamino)-methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C25H29NO4
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| Molecular Weight |
407.51
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| Canonical SMILES |
COc1ccc(CNCc2coc3cccc(OCC4CCCCC4)c3c2=O)cc1
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| InChI |
InChI=1S/C25H29NO4/c1-28-21-12-10-18(11-13-21)14-26-15-20-17-30-23-9-5-8-22(24(23)25(20)27)29-16-19-6-3-2-4-7-19/h5,8-13,17,19,26H,2-4,6-7,14-16H2,1H3
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| InChIKey |
LTWWRTSVLYUXQT-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