General Information of the Compound
| Compound ID |
CP0392020
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| Compound Name |
2-[4-(2-ethyl-5-methyl-11-methylidene-6-oxobenzo[c][1]benzazepin-8-yl)phenyl]acetic acid
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| Structure |
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| Formula |
C26H23NO3
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| Molecular Weight |
397.474
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| Canonical SMILES |
CCc1ccc2N(C)C(=O)c3cc(ccc3C(=C)c2c1)-c1ccc(CC(O)=O)cc1
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| InChI |
InChI=1S/C26H23NO3/c1-4-17-7-12-24-22(13-17)16(2)21-11-10-20(15-23(21)26(30)27(24)3)19-8-5-18(6-9-19)14-25(28)29/h5-13,15H,2,4,14H2,1,3H3,(H,28,29)
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| InChIKey |
CHDXIUFTJYWUOY-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