General Information of the Compound
| Compound ID |
CP0495604
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| Compound Name |
4-(2-ethyl-5-methyl-11-methylidene-6-oxobenzo[c][1]benzazepin-8-yl)benzoic acid
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| Structure |
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| Formula |
C25H21NO3
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| Molecular Weight |
383.447
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| Canonical SMILES |
CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C25H21NO3/c1-4-16-5-12-23-21(13-16)15(2)20-11-10-19(14-22(20)24(27)26(23)3)17-6-8-18(9-7-17)25(28)29/h5-14H,2,4H2,1,3H3,(H,28,29)
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| InChIKey |
JVGCIYMMOVAJFX-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