General Information of the Compound
| Compound ID |
CP0213173
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| Compound Name |
(E)-3-[4-[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 |
C26H17F3O6
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| Molecular Weight |
482.41
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| Canonical SMILES |
Cc1cc(OC(F)(F)F)ccc1-c1c(Oc2ccc(\C=C\C(O)=O)cc2)c2ccccc2oc1=O
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| InChI |
InChI=1S/C26H17F3O6/c1-15-14-18(35-26(27,28)29)11-12-19(15)23-24(20-4-2-3-5-21(20)34-25(23)32)33-17-9-6-16(7-10-17)8-13-22(30)31/h2-14H,1H3,(H,30,31)/b13-8+
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| InChIKey |
BWUMNOKLUCGAHO-MDWZMJQESA-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