General Information of the Compound
| Compound ID |
CP0480103
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| Compound Name |
5-[(2,5-dimethylquinolin-4-yl)oxymethyl]-3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazole
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| Formula |
C23H23N3O5
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| Molecular Weight |
421.453
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)-c1noc(COc2cc(C)nc3cccc(C)c23)n1
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| InChI |
InChI=1S/C23H23N3O5/c1-13-7-6-8-16-21(13)17(9-14(2)24-16)30-12-20-25-23(26-31-20)15-10-18(27-3)22(29-5)19(11-15)28-4/h6-11H,12H2,1-5H3
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| InChIKey |
NAPXQVUQYOKUGS-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Protein ID: PT02516, Multidrug resistance-associated protein 1