General Information of the Compound
| Compound ID |
CP0426776
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[2-[4-[3-[1-[2-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]phenyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C70H64N6O16
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| Molecular Weight |
1245.308
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(nn3)-c3cccc(c3)-c3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4cccc(c4)C(=O)OC)nn3)cc2)c1
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| InChI |
InChI=1S/C70H64N6O16/c1-81-69(79)53-14-7-10-47(40-53)45-89-67-63(77)57-16-3-5-18-61(57)91-65(67)49-20-24-55(25-21-49)87-38-36-85-34-32-83-30-28-75-43-59(71-73-75)51-12-9-13-52(42-51)60-44-76(74-72-60)29-31-84-33-35-86-37-39-88-56-26-22-50(23-27-56)66-68(64(78)58-17-4-6-19-62(58)92-66)90-46-48-11-8-15-54(41-48)70(80)82-2/h3-27,40-44H,28-39,45-46H2,1-2H3
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| InChIKey |
IMWUBUCGGKIZQB-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