General Information of the Compound
| Compound ID |
CP0555626
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| Compound Name |
(2E,6E,10E)-13-[(2R)-6-hydroxy-2,8-dimethyl-3,4-dihydrochromen-2-yl]-N-[(4-methoxyphenyl)methyl]-2,6,10-trimethyltrideca-2,6,10-trienamide
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| Formula |
C35H47NO4
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| Molecular Weight |
545.764
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| Canonical SMILES |
COc1ccc(CNC(=O)C(\C)=C\CC\C(C)=C\CC\C(C)=C\CC[C@]2(C)CCc3cc(O)cc(C)c3O2)cc1
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| InChI |
InChI=1S/C35H47NO4/c1-25(12-8-14-27(3)34(38)36-24-29-15-17-32(39-6)18-16-29)10-7-11-26(2)13-9-20-35(5)21-19-30-23-31(37)22-28(4)33(30)40-35/h10,13-18,22-23,37H,7-9,11-12,19-21,24H2,1-6H3,(H,36,38)/b25-10+,26-13+,27-14+/t35-/m1/s1
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| InChIKey |
QABPJGBAVRTIBH-HKHCYISZSA-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