General Information of the Compound
| Compound ID |
CP0566689
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| Compound Name |
2-[(E)-2-[(1S,2S,4aR,8aS)-2,5,5,8a-tetramethyl-1,2,3,4,4a,8-hexahydronaphthalen-1-yl]ethenyl]-5-(3-fluorophenyl)pyridine
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| Structure |
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| Formula |
C27H32FN
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| Molecular Weight |
389.558
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| Canonical SMILES |
C[C@H]1CC[C@@H]2C(C)(C)C=CC[C@@]2(C)[C@@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H32FN/c1-19-9-14-25-26(2,3)15-6-16-27(25,4)24(19)13-12-23-11-10-21(18-29-23)20-7-5-8-22(28)17-20/h5-8,10-13,15,17-19,24-25H,9,14,16H2,1-4H3/b13-12+/t19-,24+,25+,27-/m0/s1
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| InChIKey |
GDXGIUFKROLYHP-PHGDNRJPSA-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