General Information of the Compound
| Compound ID |
CP0560505
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| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,5,8-trimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyl-N-(pyridin-3-ylmethyl)trideca-2,6,10-trienamide
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| Formula |
C34H46N2O3
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| Molecular Weight |
530.753
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| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)NCc1cccnc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2c(C)c(O)cc(C)c2O1
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| InChI |
InChI=1S/C34H46N2O3/c1-24(13-8-15-26(3)33(38)36-23-29-16-10-20-35-22-29)11-7-12-25(2)14-9-18-34(6)19-17-30-28(5)31(37)21-27(4)32(30)39-34/h10-11,14-16,20-22,37H,7-9,12-13,17-19,23H2,1-6H3,(H,36,38)/b24-11+,25-14+,26-15+/t34-/m1/s1
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| InChIKey |
VVMOFVVQGMQKDZ-ZSAHREGPSA-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