General Information of the Compound
| Compound ID |
CP0460513
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| Compound Name |
5-(cyclohexylmethoxy)-3-[(E)-3-(4-methoxyphenyl)-3-oxoprop-1-enyl]chromen-4-one
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| Structure |
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| Formula |
C26H26O5
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| Molecular Weight |
418.489
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| Canonical SMILES |
COc1ccc(cc1)C(=O)\C=C\c1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C26H26O5/c1-29-21-13-10-19(11-14-21)22(27)15-12-20-17-31-24-9-5-8-23(25(24)26(20)28)30-16-18-6-3-2-4-7-18/h5,8-15,17-18H,2-4,6-7,16H2,1H3/b15-12+
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| InChIKey |
JXNHMLRRQFEIRS-NTCAYCPXSA-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