General Information of the Compound
| Compound ID |
CP0402006
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| Compound Name |
biarylether amide quinoline, 4d
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| Structure |
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| Formula |
C34H29F3N2O2
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| Molecular Weight |
554.612
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| Canonical SMILES |
CCN(CC)C(=O)c1cccc(Oc2cccc(c2)-c2c(Cc3ccccc3)cnc3c(cccc23)C(F)(F)F)c1
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| InChI |
InChI=1S/C34H29F3N2O2/c1-3-39(4-2)33(40)25-14-9-16-28(21-25)41-27-15-8-13-24(20-27)31-26(19-23-11-6-5-7-12-23)22-38-32-29(31)17-10-18-30(32)34(35,36)37/h5-18,20-22H,3-4,19H2,1-2H3
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| InChIKey |
GEDMLXRPUQZAAS-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