General Information of the Compound
| Compound ID |
CP0401926
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| Compound Name |
6-bromo-4-oxo-3-propoxy-2-(3-(quinolin-2-ylmethoxy)phenyl)-4H-chromene-8-carboxylic acid
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| Structure |
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| Formula |
C29H22BrNO6
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| Molecular Weight |
560.4
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| Canonical SMILES |
CCCOc1c(oc2c(cc(Br)cc2c1=O)C(O)=O)-c1cccc(OCc2ccc3ccccc3n2)c1
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| InChI |
InChI=1S/C29H22BrNO6/c1-2-12-35-28-25(32)22-14-19(30)15-23(29(33)34)27(22)37-26(28)18-7-5-8-21(13-18)36-16-20-11-10-17-6-3-4-9-24(17)31-20/h3-11,13-15H,2,12,16H2,1H3,(H,33,34)
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| InChIKey |
XFKPTKWQSOXGAD-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