General Information of the Compound
| Compound ID |
CP0449492
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| Compound Name |
3-[[cyclohexyl(2-hydroxyethyl)amino]methyl]-5-(cyclohexylmethoxy)chromen-4-one
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| Structure |
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| Formula |
C25H35NO4
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| Molecular Weight |
413.558
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| Canonical SMILES |
OCCN(Cc1coc2cccc(OCC3CCCCC3)c2c1=O)C1CCCCC1
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| InChI |
InChI=1S/C25H35NO4/c27-15-14-26(21-10-5-2-6-11-21)16-20-18-30-23-13-7-12-22(24(23)25(20)28)29-17-19-8-3-1-4-9-19/h7,12-13,18-19,21,27H,1-6,8-11,14-17H2
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| InChIKey |
BTBZYRIJYGXTNK-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