General Information of the Compound
| Compound ID |
CP0439402
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| Compound Name |
2-{4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[1,2-a][1,2,4]triazin-6-yl}acetic acid
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| Structure |
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| Formula |
C24H22N6O2
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| Molecular Weight |
426.48
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| Canonical SMILES |
CCc1c(CC(O)=O)cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12
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| InChI |
InChI=1S/C24H22N6O2/c1-2-20-18(11-22(31)32)14-30-23(20)24(25-15-27-30)28-19-8-9-21-17(10-19)12-26-29(21)13-16-6-4-3-5-7-16/h3-10,12,14-15H,2,11,13H2,1H3,(H,31,32)(H,25,27,28)
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| InChIKey |
NFCDGHRKDYRHJM-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