General Information of the Compound
| Compound ID |
CP0466107
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| Compound Name |
(2E,6E,10E)-N-benzyl-13-[(2R)-6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienamide
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| Formula |
C35H47NO3
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| Molecular Weight |
529.765
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| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)NCc1ccccc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
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| InChI |
InChI=1S/C35H47NO3/c1-25(15-11-17-27(3)34(38)36-24-30-18-8-7-9-19-30)13-10-14-26(2)16-12-21-35(6)22-20-31-29(5)32(37)23-28(4)33(31)39-35/h7-9,13,16-19,23,37H,10-12,14-15,20-22,24H2,1-6H3,(H,36,38)/b25-13+,26-16+,27-17+/t35-/m1/s1
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| InChIKey |
WEGGYPPJSJNDGB-JAUCPEOQSA-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