General Information of the Compound
| Compound ID |
CP0567209
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| Compound Name |
(1S,2R,4aS,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-2-hydroxy-1,4a,6-trimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalene-1-carbaldehyde
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| Structure |
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| Formula |
C27H32FNO2
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| Molecular Weight |
421.556
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| Canonical SMILES |
C[C@H]1CC[C@H]2[C@@](C)(CC[C@@H](O)[C@@]2(C)C=O)[C@@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H32FNO2/c1-18-7-12-24-26(2,14-13-25(31)27(24,3)17-30)23(18)11-10-22-9-8-20(16-29-22)19-5-4-6-21(28)15-19/h4-6,8-11,15-18,23-25,31H,7,12-14H2,1-3H3/b11-10+/t18-,23+,24-,25+,26-,27-/m0/s1
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| InChIKey |
ZASQVPIQOKLZFE-HABJMVFVSA-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