General Information of the Compound
| Compound ID |
CP0392220
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| Compound Name |
6-methyl-2-[4-[4-[1-[2-[2-[4-(4-oxochromen-2-yl)phenoxy]ethoxy]ethyl]triazol-4-yl]butoxy]phenyl]chromen-4-one
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| Structure |
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| Formula |
C41H37N3O7
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| Molecular Weight |
683.761
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| Canonical SMILES |
Cc1ccc2oc(cc(=O)c2c1)-c1ccc(OCCCCc2cn(CCOCCOc3ccc(cc3)-c3cc(=O)c4ccccc4o3)nn2)cc1
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| InChI |
InChI=1S/C41H37N3O7/c1-28-9-18-39-35(24-28)37(46)26-41(51-39)30-10-14-32(15-11-30)48-20-5-4-6-31-27-44(43-42-31)19-21-47-22-23-49-33-16-12-29(13-17-33)40-25-36(45)34-7-2-3-8-38(34)50-40/h2-3,7-18,24-27H,4-6,19-23H2,1H3
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| InChIKey |
GLTDJGDMOBNAFU-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 > 57000 nM
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TI
LI
LO
TS
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