General Information of the Compound
| Compound ID |
CP0052456
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| Compound Name |
5-[(2,3-dibromo-5-ethoxy-6-hydroxyphenyl)methylideneamino]-1,3-dihydrobenzimidazol-2-one
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| Formula |
C16H13Br2N3O3
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| Molecular Weight |
455.106
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| Canonical SMILES |
CCOc1cc(Br)c(Br)c(\C=N\c2ccc3[nH]c(=O)[nH]c3c2)c1O
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| InChI |
InChI=1S/C16H13Br2N3O3/c1-2-24-13-6-10(17)14(18)9(15(13)22)7-19-8-3-4-11-12(5-8)21-16(23)20-11/h3-7,22H,2H2,1H3,(H2,20,21,23)/b19-7+
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| InChIKey |
CWDLJPOSYGJLKO-FBCYGCLPSA-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: PT01669, Cytoplasmic tyrosine-protein kinase BMX
Protein ID: PT00922, Epidermal growth factor receptor
Protein ID: PT00859, Protein-tyrosine kinase 6
Protein ID: PT00879, Proto-oncogene tyrosine-protein kinase Src
Protein ID: PT01237, Tyrosine-protein kinase Fyn