General Information of the Compound
| Compound ID |
CP0485462
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| Compound Name |
4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[1,2-a][1,2,4]triazine-6-carboxylic acid
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| Structure |
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| Formula |
C23H20N6O2
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| Molecular Weight |
412.453
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| Canonical SMILES |
CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(O)=O
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| InChI |
InChI=1S/C23H20N6O2/c1-2-18-19(23(30)31)13-29-21(18)22(24-14-26-29)27-17-8-9-20-16(10-17)11-25-28(20)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3,(H,30,31)(H,24,26,27)
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| InChIKey |
WHYDOZDJTWFLEP-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