General Information of the Compound
| Compound ID |
CP0421255
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[4-[[benzyl-[[1-[2-[2-[4-[3-[(3-methoxycarbonylphenyl)methoxy]-4-oxochromen-2-yl]phenoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C69H63N7O14
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| Molecular Weight |
1214.298
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CN(Cc4cn(CCOCCOc5ccc(cc5)-c5oc6ccccc6c(=O)c5OCc5cccc(c5)C(=O)OC)nn4)Cc4ccccc4)nn3)cc2)c1
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| InChI |
InChI=1S/C69H63N7O14/c1-81-68(79)52-16-10-14-48(38-52)45-87-66-62(77)58-18-6-8-20-60(58)89-64(66)50-22-26-56(27-23-50)85-36-34-83-32-30-75-43-54(70-72-75)41-74(40-47-12-4-3-5-13-47)42-55-44-76(73-71-55)31-33-84-35-37-86-57-28-24-51(25-29-57)65-67(63(78)59-19-7-9-21-61(59)90-65)88-46-49-15-11-17-53(39-49)69(80)82-2/h3-29,38-39,43-44H,30-37,40-42,45-46H2,1-2H3
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| InChIKey |
XWGYUGFXKPAXLC-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