General Information of the Compound
| Compound ID |
CP0392214
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| Compound Name |
7-[3-[1-[2-[2-(4-oxo-2-phenylchromen-7-yl)oxyethoxy]ethyl]triazol-4-yl]propoxy]-2-phenylchromen-4-one
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| Structure |
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| Formula |
C39H33N3O7
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| Molecular Weight |
655.707
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| Canonical SMILES |
O=c1cc(oc2cc(OCCCc3cn(CCOCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)ccc12)-c1ccccc1
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| InChI |
InChI=1S/C39H33N3O7/c43-34-24-36(27-8-3-1-4-9-27)48-38-22-30(13-15-32(34)38)46-18-7-12-29-26-42(41-40-29)17-19-45-20-21-47-31-14-16-33-35(44)25-37(49-39(33)23-31)28-10-5-2-6-11-28/h1-6,8-11,13-16,22-26H,7,12,17-21H2
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| InChIKey |
XGOIIMZTQCVYSK-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000309 | NCTC clone 929 | Mus musculus (Mouse) | 1 |
| 1 |
IC50 > 100000 nM
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TI
LI
LO
TS
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