General Information of the Compound
| Compound ID |
CP0476774
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| Compound Name |
5-(cyclohexylmethoxy)-3-[(E)-3-hydroxy-3-(4-methylphenyl)prop-1-enyl]chromen-4-one
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| Structure |
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| Formula |
C26H28O4
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| Molecular Weight |
404.506
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| Canonical SMILES |
Cc1ccc(cc1)C(O)\C=C\c1coc2cccc(OCC3CCCCC3)c2c1=O
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| InChI |
InChI=1S/C26H28O4/c1-18-10-12-20(13-11-18)22(27)15-14-21-17-30-24-9-5-8-23(25(24)26(21)28)29-16-19-6-3-2-4-7-19/h5,8-15,17,19,22,27H,2-4,6-7,16H2,1H3/b15-14+
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| InChIKey |
TUYWTLYYWZMLQR-CCEZHUSRSA-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