General Information of the Compound
| Compound ID |
CP0390179
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| Compound Name |
N-[(1-benzyltriazol-4-yl)methyl]-5-[(4-bromophenyl)methoxy]-4-oxochromene-2-carboxamide
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| Structure |
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| Formula |
C27H21BrN4O4
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| Molecular Weight |
545.393
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| Canonical SMILES |
Brc1ccc(COc2cccc3oc(cc(=O)c23)C(=O)NCc2cn(Cc3ccccc3)nn2)cc1
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| InChI |
InChI=1S/C27H21BrN4O4/c28-20-11-9-19(10-12-20)17-35-23-7-4-8-24-26(23)22(33)13-25(36-24)27(34)29-14-21-16-32(31-30-21)15-18-5-2-1-3-6-18/h1-13,16H,14-15,17H2,(H,29,34)
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| InChIKey |
MZRKEGQIAKLYGV-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