General Information of the Compound
| Compound ID |
CP0427702
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| Compound Name |
(E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(3-fluorophenyl)acrylate
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| Structure |
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| Formula |
C15H14FN3O4
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| Molecular Weight |
319.292
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| Canonical SMILES |
Cc1ncc(n1CCOC(=O)\C=C\c1cccc(F)c1)[N+]([O-])=O
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| InChI |
InChI=1S/C15H14FN3O4/c1-11-17-10-14(19(21)22)18(11)7-8-23-15(20)6-5-12-3-2-4-13(16)9-12/h2-6,9-10H,7-8H2,1H3/b6-5+
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| InChIKey |
CYFPQVFLFVUCKY-AATRIKPKSA-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
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT01233, Receptor tyrosine-protein kinase erbB-2