General Information of the Compound
| Compound ID |
CP0420731
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| Compound Name |
5-[(4-bromophenyl)methoxy]-2-[[2-(5-methoxy-1H-indol-3-yl)ethyl-methylamino]methyl]chromen-4-one
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| Structure |
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| Formula |
C29H27BrN2O4
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| Molecular Weight |
547.449
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| Canonical SMILES |
COc1ccc2[nH]cc(CCN(C)Cc3cc(=O)c4c(OCc5ccc(Br)cc5)cccc4o3)c2c1
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| InChI |
InChI=1S/C29H27BrN2O4/c1-32(13-12-20-16-31-25-11-10-22(34-2)14-24(20)25)17-23-15-26(33)29-27(4-3-5-28(29)36-23)35-18-19-6-8-21(30)9-7-19/h3-11,14-16,31H,12-13,17-18H2,1-2H3
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| InChIKey |
SWVBKVBMDAMNEF-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