General Information of the Compound
| Compound ID |
CP0487253
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| Compound Name |
methyl 3-[[2-[4-[2-[2-[2-[4-[4-(4-formylphenoxy)butyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Formula |
C43H43N3O10
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| Molecular Weight |
761.828
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCn3cc(CCCCOc4ccc(C=O)cc4)nn3)cc2)c1
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| InChI |
InChI=1S/C43H43N3O10/c1-50-43(49)34-8-6-7-32(27-34)30-55-42-40(48)38-10-2-3-11-39(38)56-41(42)33-14-18-37(19-15-33)54-26-25-52-24-23-51-22-20-46-28-35(44-45-46)9-4-5-21-53-36-16-12-31(29-47)13-17-36/h2-3,6-8,10-19,27-29H,4-5,9,20-26,30H2,1H3
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| InChIKey |
ZZWSVOVSBNDFOA-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
Protein ID: PT02516, Multidrug resistance-associated protein 1