General Information of the Compound
| Compound ID |
CP0487889
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| Compound Name |
6-Bromo-2-[3-(7-chloro-quinolin-2-ylmethoxy)-phenyl]-4-oxo-4H-chromene-8-carboxylic acid
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| Structure |
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| Formula |
C26H15BrClNO5
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| Molecular Weight |
536.765
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| Canonical SMILES |
OC(=O)c1cc(Br)cc2c1oc(cc2=O)-c1cccc(OCc2ccc3ccc(Cl)cc3n2)c1
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| InChI |
InChI=1S/C26H15BrClNO5/c27-16-9-20-23(30)12-24(34-25(20)21(10-16)26(31)32)15-2-1-3-19(8-15)33-13-18-7-5-14-4-6-17(28)11-22(14)29-18/h1-12H,13H2,(H,31,32)
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| InChIKey |
XECXOJPPICXVHU-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