General Information of the Compound
| Compound ID |
CP0848569
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| Compound Name |
1,5,5-trimethyl-3-(4-(4-propyl-1,1-bis(trifluoromethyl)-1,3-dihydroisobenzofuran-5-yloxy)butyl)imidazolidine-2,4-dione
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| Structure |
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| Formula |
C23H28F6N2O4
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| Molecular Weight |
510.475
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| Canonical SMILES |
CCCc1c(OCCCCN2C(=O)N(C)C(C)(C)C2=O)ccc2c1COC2(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C23H28F6N2O4/c1-5-8-14-15-13-35-21(22(24,25)26,23(27,28)29)16(15)9-10-17(14)34-12-7-6-11-31-18(32)20(2,3)30(4)19(31)33/h9-10H,5-8,11-13H2,1-4H3
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| InChIKey |
YGKUGFMTEVIPTD-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: PT01555, Oxysterols receptor LXR-alpha
Protein ID: PT01887, Oxysterols receptor LXR-beta