General Information of the Compound
| Compound ID |
CP0504195
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| Compound Name |
3-(4-(Benzyloxy)-3-methoxyphenyl)-5-(cyclohexylmethoxy)-4H-chromen-4-one
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| Structure |
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| Formula |
C30H30O5
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| Molecular Weight |
470.565
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| Canonical SMILES |
COc1cc(ccc1OCc1ccccc1)-c1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C30H30O5/c1-32-28-17-23(15-16-25(28)33-18-21-9-4-2-5-10-21)24-20-35-27-14-8-13-26(29(27)30(24)31)34-19-22-11-6-3-7-12-22/h2,4-5,8-10,13-17,20,22H,3,6-7,11-12,18-19H2,1H3
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| InChIKey |
NURNAOIEQZSCAO-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