General Information of the Compound
| Compound ID |
CP0456527
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| Compound Name |
ethyl 4-[(1-benzylindazol-5-yl)amino]-5-propan-2-ylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
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| Structure |
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| Formula |
C26H26N6O2
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| Molecular Weight |
454.534
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| Canonical SMILES |
CCOC(=O)c1cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c2c1C(C)C
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| InChI |
InChI=1S/C26H26N6O2/c1-4-34-26(33)21-15-32-24(23(21)17(2)3)25(27-16-29-32)30-20-10-11-22-19(12-20)13-28-31(22)14-18-8-6-5-7-9-18/h5-13,15-17H,4,14H2,1-3H3,(H,27,29,30)
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| InChIKey |
DLACNDICKJWAMH-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