General Information of the Compound
| Compound ID |
CP0449130
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| Compound Name |
(E)-3-(5-Benzyloxy-2-nitro-phenyl)-2-(2-fluoro-phenyl)-acrylic acid
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| Structure |
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| Formula |
C22H16FNO5
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| Molecular Weight |
393.37
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| Canonical SMILES |
OC(=O)C(=C\c1cc(OCc2ccccc2)ccc1[N+]([O-])=O)\c1ccccc1F
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| InChI |
InChI=1S/C22H16FNO5/c23-20-9-5-4-8-18(20)19(22(25)26)13-16-12-17(10-11-21(16)24(27)28)29-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,25,26)/b19-13+
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| InChIKey |
RLQSDBBDILNAMX-CPNJWEJPSA-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