General Information of the Compound
| Compound ID |
CP0400316
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((2-hydroxy-1-phenylethylamino)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 |
OCC(NCc1coc2cccc(OCC3CCCCC3)c2c1=O)c1ccccc1
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| InChI |
InChI=1S/C25H29NO4/c27-15-21(19-10-5-2-6-11-19)26-14-20-17-30-23-13-7-12-22(24(23)25(20)28)29-16-18-8-3-1-4-9-18/h2,5-7,10-13,17-18,21,26-27H,1,3-4,8-9,14-16H2
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| InChIKey |
FDBKDAIOMKCREN-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