General Information of the Compound
| Compound ID |
CP0485715
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| Compound Name |
3-(1H-imidazol-1-yl)propyl 4-[(1-benzyl-1H-indazol-5-yl)amino]-5-ethylpyrrolo[1,2-a][1,2,4]triazine-6-carboxylate
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| Structure |
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| Formula |
C29H28N8O2
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| Molecular Weight |
520.597
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| Canonical SMILES |
CCc1c(cn2ncnc(Nc3ccc4n(Cc5ccccc5)ncc4c3)c12)C(=O)OCCCn1ccnc1
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| InChI |
InChI=1S/C29H28N8O2/c1-2-24-25(29(38)39-14-6-12-35-13-11-30-20-35)18-37-27(24)28(31-19-33-37)34-23-9-10-26-22(15-23)16-32-36(26)17-21-7-4-3-5-8-21/h3-5,7-11,13,15-16,18-20H,2,6,12,14,17H2,1H3,(H,31,33,34)
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| InChIKey |
CQTPFJKIPFEALQ-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