General Information of the Compound
| Compound ID |
CP0528980
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| Compound Name |
[(1R,3aS,6aR)-5-hexyl-1-hydroxy-4-phenyl-2,3,6,6a-tetrahydro-1H-pentalen-3a-yl]-phenylmethanone
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| Structure |
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| Formula |
C27H32O2
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| Molecular Weight |
388.551
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| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H32O2/c1-2-3-4-7-16-22-19-23-24(28)17-18-27(23,25(22)20-12-8-5-9-13-20)26(29)21-14-10-6-11-15-21/h5-6,8-15,23-24,28H,2-4,7,16-19H2,1H3/t23-,24+,27-/m0/s1
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| InChIKey |
ODIJZAZIXNTRNZ-XFAFFCHDSA-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