General Information of the Compound
| Compound ID |
CP0954385
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| Compound Name |
rac-4-(1-(4-hydroxy-2-oxo-2H-chromen-3-yl)-3-oxobutyl)cycloocta-1,3,5,7-tetraenecarboxylic acid
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| Formula |
C22H18O6
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| Molecular Weight |
378.38
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| Canonical SMILES |
CC(=O)CC(C1=C/C=C(C(=O)O)\C=C/C=C\1)c1c(O)c2ccccc2oc1=O
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| InChI |
InChI=1S/C22H18O6/c1-13(23)12-17(14-6-2-3-7-15(11-10-14)21(25)26)19-20(24)16-8-4-5-9-18(16)28-22(19)27/h2-11,17,24H,12H2,1H3,(H,25,26)/b3-2?,6-2-,7-3-,11-10?,14-6?,14-10+,15-7?,15-11+
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| InChIKey |
QXDYERXCHMYAAP-SSSVDTITSA-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