General Information of the Compound
| Compound ID |
CP0466824
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[2-[4-[[4-[[1-[2-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]piperazin-1-yl]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C70H72N8O16
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| Molecular Weight |
1281.386
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CN4CCN(Cc5cn(CCOCCOCCOc6ccc(cc6)-c6oc7ccccc7c(=O)c6OCc6cccc(c6)C(=O)OC)nn5)CC4)nn3)cc2)c1
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| InChI |
InChI=1S/C70H72N8O16/c1-83-69(81)53-11-7-9-49(41-53)47-91-67-63(79)59-13-3-5-15-61(59)93-65(67)51-17-21-57(22-18-51)89-39-37-87-35-33-85-31-29-77-45-55(71-73-77)43-75-25-27-76(28-26-75)44-56-46-78(74-72-56)30-32-86-34-36-88-38-40-90-58-23-19-52(20-24-58)66-68(64(80)60-14-4-6-16-62(60)94-66)92-48-50-10-8-12-54(42-50)70(82)84-2/h3-24,41-42,45-46H,25-40,43-44,47-48H2,1-2H3
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| InChIKey |
LOCAHSWELXZHMU-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