General Information of the Compound
| Compound ID |
CP0436933
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| Compound Name |
(1R,3aR,6aR)-3a-[1-(2-fluorophenyl)ethenyl]-5-hexyl-4-phenyl-2,3,6,6a-tetrahydro-1H-pentalen-1-ol
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| Structure |
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| Formula |
C28H33FO
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| Molecular Weight |
404.569
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| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)c1ccccc1F
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| InChI |
InChI=1S/C28H33FO/c1-3-4-5-7-14-22-19-24-26(30)17-18-28(24,27(22)21-12-8-6-9-13-21)20(2)23-15-10-11-16-25(23)29/h6,8-13,15-16,24,26,30H,2-5,7,14,17-19H2,1H3/t24-,26+,28-/m0/s1
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| InChIKey |
ATVZSCKUYRFCTH-YIOBJHAYSA-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