General Information of the Compound
| Compound ID |
CP0567474
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| Compound Name |
2-(7-chloroquinolin-4-yl)sulfanyl-N-[1-[5-(propan-2-yloxymethyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
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| Structure |
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| Formula |
C20H23ClN4O3S
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| Molecular Weight |
434.949
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| Canonical SMILES |
CC(C)OCc1nc(no1)C(C)NC(=O)C(C)Sc1ccnc2cc(Cl)ccc12
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| InChI |
InChI=1S/C20H23ClN4O3S/c1-11(2)27-10-18-24-19(25-28-18)12(3)23-20(26)13(4)29-17-7-8-22-16-9-14(21)5-6-15(16)17/h5-9,11-13H,10H2,1-4H3,(H,23,26)
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| InChIKey |
IWBRPFYJHDLFFT-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