General Information of the Compound
| Compound ID |
CP0446377
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| Compound Name |
1-benzyl-N-[6-(ethoxymethyl)-5-ethylpyrrolo[1,2-a][1,2,4]triazin-4-yl]-1H-indazol-5-amine
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| Structure |
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| Formula |
C25H26N6O
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| Molecular Weight |
426.524
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| Canonical SMILES |
CCOCc1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1CC
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| InChI |
InChI=1S/C25H26N6O/c1-3-22-20(16-32-4-2)15-31-24(22)25(26-17-28-31)29-21-10-11-23-19(12-21)13-27-30(23)14-18-8-6-5-7-9-18/h5-13,15,17H,3-4,14,16H2,1-2H3,(H,26,28,29)
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| InChIKey |
CBDBASHBUAODSV-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