General Information of the Compound
| Compound ID |
CP0556403
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| Compound Name |
(2E,6E,10E)-N-benzyl-N-ethyl-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 |
C38H53NO3
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| Molecular Weight |
571.846
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)C(\C)=C\CC\C(C)=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/C38H53NO3/c1-9-39(26-33-21-11-10-12-22-33)37(41)29(4)20-14-18-27(2)16-13-17-28(3)19-15-24-38(8)25-23-34-32(7)35(40)30(5)31(6)36(34)42-38/h10-12,16,19-22,40H,9,13-15,17-18,23-26H2,1-8H3/b27-16+,28-19+,29-20+/t38-/m1/s1
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| InChIKey |
DVNQIXLRPODSKH-FSMDLUNWSA-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