General Information of the Compound
| Compound ID |
CP0567210
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| Compound Name |
(2R,4aS,5S,6S,8aS)-5-[(E)-2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-1,1,4a,6-tetramethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-2-ol
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| Structure |
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| Formula |
C27H34FNO
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| Molecular Weight |
407.573
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| Canonical SMILES |
C[C@H]1CC[C@@H]2C(C)(C)[C@H](O)CC[C@@]2(C)[C@@H]1\C=C\c1ccc(cn1)-c1cccc(F)c1
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| InChI |
InChI=1S/C27H34FNO/c1-18-8-13-24-26(2,3)25(30)14-15-27(24,4)23(18)12-11-22-10-9-20(17-29-22)19-6-5-7-21(28)16-19/h5-7,9-12,16-18,23-25,30H,8,13-15H2,1-4H3/b12-11+/t18-,23+,24+,25+,27-/m0/s1
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| InChIKey |
SAZKXOYARLGAAI-YSLQJDTESA-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