General Information of the Compound
| Compound ID |
CP0468653
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| Compound Name |
(1R,3aR,6aR)-5-hexyl-4-phenyl-3a-(3-phenylprop-1-en-2-yl)-2,3,6,6a-tetrahydro-1H-pentalen-1-ol
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| Structure |
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| Formula |
C29H36O
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| Molecular Weight |
400.606
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| Canonical SMILES |
CCCCCCC1=C(c2ccccc2)[C@@]2(CC[C@@H](O)[C@@H]2C1)C(=C)Cc1ccccc1
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| InChI |
InChI=1S/C29H36O/c1-3-4-5-10-17-25-21-26-27(30)18-19-29(26,28(25)24-15-11-7-12-16-24)22(2)20-23-13-8-6-9-14-23/h6-9,11-16,26-27,30H,2-5,10,17-21H2,1H3/t26-,27+,29-/m0/s1
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| InChIKey |
YYCBRMOICJLJDK-GKRYNVPLSA-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