General Information of the Compound
| Compound ID |
CP0443979
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| Compound Name |
methyl 3-[[4-oxo-2-[4-[2-[2-[4-[4-(4-oxo-2-phenylchromen-7-yl)oxybutyl]triazol-1-yl]ethoxy]ethoxy]phenyl]chromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C49H43N3O10
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| Molecular Weight |
833.894
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
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| InChI |
InChI=1S/C49H43N3O10/c1-56-49(55)36-13-9-10-33(28-36)32-60-48-46(54)41-15-5-6-16-43(41)62-47(48)35-17-19-38(20-18-35)59-27-26-57-25-23-52-31-37(50-51-52)14-7-8-24-58-39-21-22-40-42(53)30-44(61-45(40)29-39)34-11-3-2-4-12-34/h2-6,9-13,15-22,28-31H,7-8,14,23-27,32H2,1H3
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| InChIKey |
PQKXOUMEBXDAAB-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