General Information of the Compound
| Compound ID |
CP0485144
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| Compound Name |
4-[4-(2-methylquinolin-8-yl)sulfonylpiperazin-1-yl]thieno[3,2-c]pyridine
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| Structure |
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| Formula |
C21H20N4O2S2
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| Molecular Weight |
424.551
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| Canonical SMILES |
Cc1ccc2cccc(c2n1)S(=O)(=O)N1CCN(CC1)c1nccc2sccc12
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| InChI |
InChI=1S/C21H20N4O2S2/c1-15-5-6-16-3-2-4-19(20(16)23-15)29(26,27)25-12-10-24(11-13-25)21-17-8-14-28-18(17)7-9-22-21/h2-9,14H,10-13H2,1H3
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| InChIKey |
KLZSXJJLMWSGOR-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