General Information of the Compound
| Compound ID |
CP0471696
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| Compound Name |
2-[4-[2-[2-[2-[4-[[benzyl-[[1-[2-[2-[2-[4-(4-oxo-3-phenylmethoxychromen-2-yl)phenoxy]ethoxy]ethoxy]ethyl]triazol-4-yl]methyl]amino]methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-3-phenylmethoxychromen-4-one
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| Structure |
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| Formula |
C69H67N7O12
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| Molecular Weight |
1186.332
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| Canonical SMILES |
O=c1c(OCc2ccccc2)c(oc2ccccc12)-c1ccc(OCCOCCOCCn2cc(CN(Cc3cn(CCOCCOCCOc4ccc(cc4)-c4oc5ccccc5c(=O)c4OCc4ccccc4)nn3)Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C69H67N7O12/c77-64-60-20-10-12-22-62(60)87-66(68(64)85-49-52-16-6-2-7-17-52)54-24-28-58(29-25-54)83-42-40-81-38-36-79-34-32-75-47-56(70-72-75)45-74(44-51-14-4-1-5-15-51)46-57-48-76(73-71-57)33-35-80-37-39-82-41-43-84-59-30-26-55(27-31-59)67-69(86-50-53-18-8-3-9-19-53)65(78)61-21-11-13-23-63(61)88-67/h1-31,47-48H,32-46,49-50H2
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| InChIKey |
LSUNWAXRQSGELM-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