General Information of the Compound
| Compound ID |
CP0381046
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| Compound Name |
3-[[benzyl(2-hydroxyethyl)amino]methyl]-5-(cyclohexylmethoxy)chromen-4-one
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| Structure |
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| Formula |
C26H31NO4
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| Molecular Weight |
421.537
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| Canonical SMILES |
OCCN(Cc1ccccc1)Cc1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C26H31NO4/c28-15-14-27(16-20-8-3-1-4-9-20)17-22-19-31-24-13-7-12-23(25(24)26(22)29)30-18-21-10-5-2-6-11-21/h1,3-4,7-9,12-13,19,21,28H,2,5-6,10-11,14-18H2
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| InChIKey |
CBWLWRZOXVZQDH-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