General Information of the Compound
| Compound ID |
CP0483131
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| Compound Name |
(E)-3-[4-[7-(difluoromethyl)-3-[2-methyl-4-(trifluoromethoxy)phenyl]-2-oxochromen-4-yl]oxyphenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H17F5O6
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| Molecular Weight |
532.417
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| Canonical SMILES |
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccc(cc2oc1=O)C(F)F
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| InChI |
InChI=1S/C27H17F5O6/c1-14-12-18(38-27(30,31)32)8-10-19(14)23-24(36-17-6-2-15(3-7-17)4-11-22(33)34)20-9-5-16(25(28)29)13-21(20)37-26(23)35/h2-13,25H,1H3,(H,33,34)/b11-4+
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| InChIKey |
VILFKGGUPKYGLM-NYYWCZLTSA-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