General Information of the Compound
| Compound ID |
CP0428885
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| Compound Name |
5-(Cyclohexylmethoxy)-3-((5-hydroxypentylamino)-methyl)-4H-chromen-4-one
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| Structure |
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| Formula |
C22H31NO4
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| Molecular Weight |
373.493
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| Canonical SMILES |
OCCCCCNCc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C22H31NO4/c24-13-6-2-5-12-23-14-18-16-27-20-11-7-10-19(21(20)22(18)25)26-15-17-8-3-1-4-9-17/h7,10-11,16-17,23-24H,1-6,8-9,12-15H2
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| InChIKey |
IYXRTWTVFKAXLD-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