General Information of the Compound
| Compound ID |
CP0539203
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| Compound Name |
3-(8-fluoroquinolin-3-yl)-5-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,4-oxadiazole
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| Formula |
C18H16FN5O
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| Molecular Weight |
337.358
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| Canonical SMILES |
CC(C)n1ccc(Cc2nc(no2)-c2cnc3c(F)cccc3c2)n1
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| InChI |
InChI=1S/C18H16FN5O/c1-11(2)24-7-6-14(22-24)9-16-21-18(23-25-16)13-8-12-4-3-5-15(19)17(12)20-10-13/h3-8,10-11H,9H2,1-2H3
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| InChIKey |
PNCSJEIBLVNGMB-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