General Information of the Compound
| Compound ID |
CP0453900
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| Compound Name |
5-((4-aminopiperidin-1-yl)methyl)-N-(1-((5-methylpyridin-3-yl)methyl)-1H-indazol-5-yl)pyrrolo[1,2-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C26H29N9
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| Molecular Weight |
467.581
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| Canonical SMILES |
Cc1cncc(Cn2ncc3cc(Nc4ncnn5ccc(CN6CCC(N)CC6)c45)ccc23)c1
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| InChI |
InChI=1S/C26H29N9/c1-18-10-19(13-28-12-18)15-35-24-3-2-23(11-21(24)14-30-35)32-26-25-20(4-9-34(25)31-17-29-26)16-33-7-5-22(27)6-8-33/h2-4,9-14,17,22H,5-8,15-16,27H2,1H3,(H,29,31,32)
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| InChIKey |
WUPUQIUJIDRWAX-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