General Information of the Compound
| Compound ID |
CP0531378
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| Compound Name |
methyl 3-[[2-[4-[2-(2-azidoethoxy)ethoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Structure |
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| Formula |
C28H25N3O7
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| Molecular Weight |
515.522
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCOCCN=[N+]=[N-])cc2)c1
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| InChI |
InChI=1S/C28H25N3O7/c1-34-28(33)21-6-4-5-19(17-21)18-37-27-25(32)23-7-2-3-8-24(23)38-26(27)20-9-11-22(12-10-20)36-16-15-35-14-13-30-31-29/h2-12,17H,13-16,18H2,1H3
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| InChIKey |
AJZXHEFXUYIUBV-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