General Information of the Compound
| Compound ID |
CP0555625
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| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-2,6,10-trimethyl-N-(pyridin-3-ylmethyl)trideca-2,6,10-trienamide
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| Formula |
C33H44N2O3
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| Molecular Weight |
516.726
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| Canonical SMILES |
C\C(CC\C=C(/C)C(=O)NCc1cccnc1)=C/CC\C(C)=C\CC[C@]1(C)CCc2cc(O)cc(C)c2O1
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| InChI |
InChI=1S/C33H44N2O3/c1-24(12-7-14-26(3)32(37)35-23-28-15-9-19-34-22-28)10-6-11-25(2)13-8-17-33(5)18-16-29-21-30(36)20-27(4)31(29)38-33/h9-10,13-15,19-22,36H,6-8,11-12,16-18,23H2,1-5H3,(H,35,37)/b24-10+,25-13+,26-14+/t33-/m1/s1
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| InChIKey |
UVDDZGMMSHBCTK-MQRHHAAQSA-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