General Information of the Compound
| Compound ID |
CP0467822
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| Compound Name |
2-(1-((4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)pyrrolo[1,2-f][1,2,4]triazin-5-yl)methyl)piperidin-4-ylamino)ethanol
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| Structure |
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| Formula |
C28H31FN8O
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| Molecular Weight |
514.609
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| Canonical SMILES |
OCCNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
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| InChI |
InChI=1S/C28H31FN8O/c29-23-3-1-2-20(14-23)17-37-26-5-4-25(15-22(26)16-32-37)34-28-27-21(6-12-36(27)33-19-31-28)18-35-10-7-24(8-11-35)30-9-13-38/h1-6,12,14-16,19,24,30,38H,7-11,13,17-18H2,(H,31,33,34)
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| InChIKey |
YVHIBMWTWVBAAS-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
Cell Viability or Cytotoxicity Assay