General Information of the Compound
| Compound ID |
CP0493912
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| Compound Name |
biarylether amide quinoline, 4k
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| Structure |
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| Formula |
C26H23ClN2O2
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| Molecular Weight |
430.935
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| Canonical SMILES |
CCCNC(=O)c1cccc(Oc2cccc(c2)-c2c(C)cnc3c(Cl)cccc23)c1
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| InChI |
InChI=1S/C26H23ClN2O2/c1-3-13-28-26(30)19-8-5-10-21(15-19)31-20-9-4-7-18(14-20)24-17(2)16-29-25-22(24)11-6-12-23(25)27/h4-12,14-16H,3,13H2,1-2H3,(H,28,30)
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| InChIKey |
MEBPCMPPKTYENX-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