General Information of the Compound
| Compound ID |
CP0415982
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| Compound Name |
2-[3-(3,4-dimethoxyphenyl)-4-oxochromen-2-yl]oxy-N-naphthalen-1-ylacetamide
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| Structure |
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| Formula |
C29H23NO6
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| Molecular Weight |
481.504
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| Canonical SMILES |
COc1ccc(cc1OC)-c1c(OCC(=O)Nc2cccc3ccccc23)oc2ccccc2c1=O
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| InChI |
InChI=1S/C29H23NO6/c1-33-24-15-14-19(16-25(24)34-2)27-28(32)21-11-5-6-13-23(21)36-29(27)35-17-26(31)30-22-12-7-9-18-8-3-4-10-20(18)22/h3-16H,17H2,1-2H3,(H,30,31)
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| InChIKey |
XHPZUDHNRXYEOQ-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 > 100000 nM
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TI
LI
LO
TS
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