General Information of the Compound
| Compound ID |
CP0418522
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| Compound Name |
(4-[(5,6,7,8-tetrahydro-4-oxo-4H-[1]benzothieno[2,3-d][1,3]thiazin-2-yl)amino]benzoicacid)
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| Structure |
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| Formula |
C17H14N2O3S2
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| Molecular Weight |
358.444
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| Canonical SMILES |
OC(=O)c1ccc(Nc2nc3sc4CCCCc4c3c(=O)s2)cc1
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| InChI |
InChI=1S/C17H14N2O3S2/c20-15(21)9-5-7-10(8-6-9)18-17-19-14-13(16(22)24-17)11-3-1-2-4-12(11)23-14/h5-8H,1-4H2,(H,18,19)(H,20,21)
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| InChIKey |
UTKSWFFHMRVZFU-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: PT03217, ATP-binding cassette sub-family C member 2
Protein ID: PT02516, Multidrug resistance-associated protein 1