General Information of the Compound
| Compound ID |
CP0467824
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| Compound Name |
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(piperidin-4-ylamino)methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
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| Structure |
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| Formula |
C26H27FN8
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| Molecular Weight |
470.556
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| Canonical SMILES |
Fc1cccc(Cn2ncc3cc(Nc4ncnn5ccc(CNC6CCNCC6)c45)ccc23)c1
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| InChI |
InChI=1S/C26H27FN8/c27-21-3-1-2-18(12-21)16-35-24-5-4-23(13-20(24)15-31-35)33-26-25-19(8-11-34(25)32-17-30-26)14-29-22-6-9-28-10-7-22/h1-5,8,11-13,15,17,22,28-29H,6-7,9-10,14,16H2,(H,30,32,33)
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| InChIKey |
BFBSQOKQECCEPF-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