General Information of the Compound
| Compound ID |
CP0396056
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| Compound Name |
5-[(4-bromophenyl)methoxy]-N-[2-(1H-indol-3-yl)ethyl]-N-methyl-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C28H23BrN2O4
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| Molecular Weight |
531.406
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| Canonical SMILES |
CN(CCc1c[nH]c2ccccc12)C(=O)c1cc(=O)c2c(OCc3ccc(Br)cc3)cccc2o1
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| InChI |
InChI=1S/C28H23BrN2O4/c1-31(14-13-19-16-30-22-6-3-2-5-21(19)22)28(33)26-15-23(32)27-24(7-4-8-25(27)35-26)34-17-18-9-11-20(29)12-10-18/h2-12,15-16,30H,13-14,17H2,1H3
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| InChIKey |
KUBLAVNHAQKCJD-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