General Information of the Compound
| Compound ID |
CP0885731
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| Compound Name |
5-(4-methoxyphenyl)-5-methyl-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 |
C28H30F6N2O5
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| Molecular Weight |
588.545
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| Canonical SMILES |
CCCc1c(OCCCCN2C(=O)NC(C)(c3ccc(OC)cc3)C2=O)ccc2c1COC2(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C28H30F6N2O5/c1-4-7-19-20-16-41-26(27(29,30)31,28(32,33)34)21(20)12-13-22(19)40-15-6-5-14-36-23(37)25(2,35-24(36)38)17-8-10-18(39-3)11-9-17/h8-13H,4-7,14-16H2,1-3H3,(H,35,38)
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| InChIKey |
TWLCNIINMXGTPB-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