General Information of the Compound
| Compound ID |
CP0853055
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| Compound Name |
N-((5-(4-bromobenzyloxy)-4-oxo-4H-chromen-2-yl)methyl)-2-(1H-indol-3-yl)-N-methylethanaminium chloride
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| Structure |
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| Formula |
C28H26BrClN2O3
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| Molecular Weight |
553.884
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| Canonical SMILES |
CN(CCc1c[nH]c2ccccc12)Cc1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1.Cl
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| InChI |
InChI=1S/C28H25BrN2O3.ClH/c1-31(14-13-20-16-30-24-6-3-2-5-23(20)24)17-22-15-25(32)28-26(7-4-8-27(28)34-22)33-18-19-9-11-21(29)12-10-19;/h2-12,15-16,30H,13-14,17-18H2,1H3;1H
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| InChIKey |
YHTACBKBUMVFAW-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: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2