General Information of the Compound
| Compound ID |
CP0547453
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| Compound Name |
methyl 3-[[2-[4-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C30H29N3O8
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| Molecular Weight |
559.575
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCOCCN=[N+]=[N-])cc2)c1
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| InChI |
InChI=1S/C30H29N3O8/c1-36-30(35)23-6-4-5-21(19-23)20-40-29-27(34)25-7-2-3-8-26(25)41-28(29)22-9-11-24(12-10-22)39-18-17-38-16-15-37-14-13-32-33-31/h2-12,19H,13-18,20H2,1H3
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| InChIKey |
XDDDIZUXIRDKCU-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