General Information of the Compound
| Compound ID |
CP0555629
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| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,5,7,8-tetramethyl-3,4-dihydrochromen-2-yl]-N-[(4-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
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| Formula |
C37H51NO4
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| Molecular Weight |
573.818
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| Canonical SMILES |
COc1ccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3c(C)c(O)c(C)c(C)c3O2)cc1
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| InChI |
InChI=1S/C37H51NO4/c1-25(14-10-16-27(3)36(40)38-24-31-17-19-32(41-8)20-18-31)12-9-13-26(2)15-11-22-37(7)23-21-33-30(6)34(39)28(4)29(5)35(33)42-37/h12,15-20,39H,9-11,13-14,21-24H2,1-8H3,(H,38,40)/b25-12+,26-15+,27-16+/t37-/m1/s1
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| InChIKey |
CTGUGPJDIVDBMT-RSLCYTJCSA-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