General Information of the Compound
| Compound ID |
CP0466823
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[4-[[4-[[1-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C66H64N8O14
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| Molecular Weight |
1193.28
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1
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| InChI |
InChI=1S/C66H64N8O14/c1-79-65(77)49-11-7-9-45(37-49)43-85-63-59(75)55-13-3-5-15-57(55)87-61(63)47-17-21-53(22-18-47)83-35-33-81-31-29-73-41-51(67-69-73)39-71-25-27-72(28-26-71)40-52-42-74(70-68-52)30-32-82-34-36-84-54-23-19-48(20-24-54)62-64(60(76)56-14-4-6-16-58(56)88-62)86-44-46-10-8-12-50(38-46)66(78)80-2/h3-24,37-38,41-42H,25-36,39-40,43-44H2,1-2H3
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| InChIKey |
FNLZUKDLCHNJHH-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