General Information of the Compound
| Compound ID |
CP0391067
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| Compound Name |
2-[2-(2-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(1-oxo-3H-2-benzofuran-5-yl)acetamide
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| Structure |
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| Formula |
C25H16ClNO6
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| Molecular Weight |
461.857
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| Canonical SMILES |
Clc1ccccc1-c1oc2ccccc2c(=O)c1OCC(=O)Nc1ccc2C(=O)OCc2c1
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| InChI |
InChI=1S/C25H16ClNO6/c26-19-7-3-1-5-17(19)23-24(22(29)18-6-2-4-8-20(18)33-23)31-13-21(28)27-15-9-10-16-14(11-15)12-32-25(16)30/h1-11H,12-13H2,(H,27,28)
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| InChIKey |
QCKIWMNSBLREPR-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000036 | MDCK-II | Canis lupus familiaris (Dog) | 1 |
| 1 |
GI50 = 67600 nM
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TI
LI
LO
TS
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| CL000072 | A2780 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 61100 nM
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TI
LI
LO
TS
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