General Information of the Compound
| Compound ID |
CP0421035
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| Compound Name |
(2E,4E,6E,8E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenamide
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| Structure |
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| Formula |
C28H37NO3
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| Molecular Weight |
435.608
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| Canonical SMILES |
COc1cc(CNC(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C2=C(C)CCCC2(C)C)ccc1O
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| InChI |
InChI=1S/C28H37NO3/c1-20(12-14-24-22(3)11-8-16-28(24,4)5)9-7-10-21(2)17-27(31)29-19-23-13-15-25(30)26(18-23)32-6/h7,9-10,12-15,17-18,30H,8,11,16,19H2,1-6H3,(H,29,31)/b10-7+,14-12+,20-9+,21-17+
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| InChIKey |
FGFIMXXLJAZRKO-IGHSUZHJSA-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