General Information of the Compound
| Compound ID |
CP0527500
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| Compound Name |
methyl 3-[[2-[4-[4-[1-[2-(2-hydroxyethoxy)ethyl]triazol-4-yl]butoxy]phenyl]-4-oxochromen-3-yl]oxymethyl]benzoate
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| Formula |
C34H35N3O8
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| Molecular Weight |
613.667
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| Canonical SMILES |
COC(=O)c1cccc(COc2c(oc3ccccc3c2=O)-c2ccc(OCCCCc3cn(CCOCCO)nn3)cc2)c1
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| InChI |
InChI=1S/C34H35N3O8/c1-41-34(40)26-8-6-7-24(21-26)23-44-33-31(39)29-10-2-3-11-30(29)45-32(33)25-12-14-28(15-13-25)43-18-5-4-9-27-22-37(36-35-27)16-19-42-20-17-38/h2-3,6-8,10-15,21-22,38H,4-5,9,16-20,23H2,1H3
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| InChIKey |
MDDTXWKBXKJAGB-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