General Information of the Compound
| Compound ID |
CP0533393
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| Compound Name |
methyl 3-[[4-oxo-2-[4-[2-[2-[4-[3-(4-oxo-2-phenylchromen-7-yl)oxypropyl]triazol-1-yl]ethoxy]ethoxy]phenyl]chromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C48H41N3O10
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| Molecular Weight |
819.867
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCn3cc(CCCOc4ccc5c(c4)oc(cc5=O)-c4ccccc4)nn3)cc2)c1
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| InChI |
InChI=1S/C48H41N3O10/c1-55-48(54)35-12-7-9-32(27-35)31-59-47-45(53)40-14-5-6-15-42(40)61-46(47)34-16-18-37(19-17-34)58-26-25-56-24-22-51-30-36(49-50-51)13-8-23-57-38-20-21-39-41(52)29-43(60-44(39)28-38)33-10-3-2-4-11-33/h2-7,9-12,14-21,27-30H,8,13,22-26,31H2,1H3
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| InChIKey |
NBPXQCGXCNLDOF-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