General Information of the Compound
| Compound ID |
CP0400315
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| Compound Name |
(E)-2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 3-(3-methoxyphenyl)acrylate
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| Structure |
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| Formula |
C16H17N3O5
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| Molecular Weight |
331.328
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)OCCn2c(C)ncc2[N+]([O-])=O)c1
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| InChI |
InChI=1S/C16H17N3O5/c1-12-17-11-15(19(21)22)18(12)8-9-24-16(20)7-6-13-4-3-5-14(10-13)23-2/h3-7,10-11H,8-9H2,1-2H3/b7-6+
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| InChIKey |
NYLURTZYLDYWMN-VOTSOKGWSA-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