General Information of the Compound
| Compound ID |
CP0483692
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| Compound Name |
ethyl 5-ethyl-4-(1H-indazol-5-ylamino)pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate
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| Structure |
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| Formula |
C18H18N6O2
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| Molecular Weight |
350.382
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| Canonical SMILES |
CCOC(=O)c1cn2ncnc(Nc3ccc4[nH]ncc4c3)c2c1CC
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| InChI |
InChI=1S/C18H18N6O2/c1-3-13-14(18(25)26-4-2)9-24-16(13)17(19-10-21-24)22-12-5-6-15-11(7-12)8-20-23-15/h5-10H,3-4H2,1-2H3,(H,20,23)(H,19,21,22)
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| InChIKey |
XSFGXVBMHUSTNL-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