General Information of the Compound
| Compound ID |
CP0558124
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| Compound Name |
(2E,6E,10E)-N-benzyl-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyltrideca-2,6,10-trienamide
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| Formula |
C36H49NO3
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| Molecular Weight |
543.792
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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)c(C)c(C)c2O1
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| InChI |
InChI=1S/C36H49NO3/c1-25(16-12-18-27(3)35(39)37-24-31-19-9-8-10-20-31)14-11-15-26(2)17-13-22-36(7)23-21-32-30(6)33(38)28(4)29(5)34(32)40-36/h8-10,14,17-20,38H,11-13,15-16,21-24H2,1-7H3,(H,37,39)/b25-14+,26-17+,27-18+/t36-/m1/s1
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| InChIKey |
WCWUJSJDDOCYPO-DITSJAMCSA-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