General Information of the Compound
| Compound ID |
CP0399771
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| Compound Name |
ethyl 4-(3-bromoanilino)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
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| Structure |
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| Formula |
C17H17BrN4O2
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| Molecular Weight |
389.253
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| Canonical SMILES |
CCOC(=O)c1cn2ncnc(Nc3cccc(Br)c3)c2c1CC
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| InChI |
InChI=1S/C17H17BrN4O2/c1-3-13-14(17(23)24-4-2)9-22-15(13)16(19-10-20-22)21-12-7-5-6-11(18)8-12/h5-10H,3-4H2,1-2H3,(H,19,20,21)
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| InChIKey |
ZCKGARDCKJFLRH-UHFFFAOYSA-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