General Information of the Compound
| Compound ID |
CP0436087
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| Compound Name |
4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethyl-N,N-dimethylpyrrolo[1,2-a][1,2,4]triazine-6-carboxamide
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| Structure |
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| Formula |
C25H25N7O
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| Molecular Weight |
439.523
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| Canonical SMILES |
CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)N(C)C
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| InChI |
InChI=1S/C25H25N7O/c1-4-20-21(25(33)30(2)3)15-32-23(20)24(26-16-28-32)29-19-10-11-22-18(12-19)13-27-31(22)14-17-8-6-5-7-9-17/h5-13,15-16H,4,14H2,1-3H3,(H,26,28,29)
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| InChIKey |
FAFIJKWOYIPTEN-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