General Information of the Compound
| Compound ID |
CP0392832
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| Compound Name |
5-hydroxy-1-[4-hydroxy-3,5-di(propan-2-yl)phenyl]-11-phenylundecan-3-one
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| Structure |
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| Formula |
C29H42O3
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| Molecular Weight |
438.652
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| Canonical SMILES |
CC(C)c1cc(CCC(=O)CC(O)CCCCCCc2ccccc2)cc(C(C)C)c1O
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| InChI |
InChI=1S/C29H42O3/c1-21(2)27-18-24(19-28(22(3)4)29(27)32)16-17-26(31)20-25(30)15-11-6-5-8-12-23-13-9-7-10-14-23/h7,9-10,13-14,18-19,21-22,25,30,32H,5-6,8,11-12,15-17,20H2,1-4H3
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| InChIKey |
BJRMWEHFSJOJSM-UHFFFAOYSA-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1