General Information of the Compound
| Compound ID |
CP0401927
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| Compound Name |
6-bromo-4-oxo-3-(quinolin-2-ylmethoxy)-2-(3-(quinolin-2-ylmethoxy)phenyl)-4H-chromene-8-carboxylic acid
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| Structure |
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| Formula |
C36H23BrN2O6
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| Molecular Weight |
659.492
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| Canonical SMILES |
OC(=O)c1cc(Br)cc2c1oc(-c1cccc(OCc3ccc4ccccc4n3)c1)c(OCc1ccc3ccccc3n1)c2=O
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| InChI |
InChI=1S/C36H23BrN2O6/c37-24-17-28-32(40)35(44-20-26-15-13-22-7-2-4-11-31(22)39-26)33(45-34(28)29(18-24)36(41)42)23-8-5-9-27(16-23)43-19-25-14-12-21-6-1-3-10-30(21)38-25/h1-18H,19-20H2,(H,41,42)
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| InChIKey |
AJCUVQGKLQCMGU-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