General Information of the Compound
| Compound ID |
CP0187101
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| Compound Name |
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C21H17FN6
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| Molecular Weight |
372.407
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| Canonical SMILES |
Cc1ccn2ncnc(Nc3ccc4n(Cc5cccc(F)c5)ncc4c3)c12
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| InChI |
InChI=1S/C21H17FN6/c1-14-7-8-27-20(14)21(23-13-25-27)26-18-5-6-19-16(10-18)11-24-28(19)12-15-3-2-4-17(22)9-15/h2-11,13H,12H2,1H3,(H,23,25,26)
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| InChIKey |
BLRPVPKLIFBVIC-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: PT01233, Receptor tyrosine-protein kinase erbB-2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000216 | NCI-N87 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 380 nM
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