General Information of the Compound
| Compound ID |
CP0568870
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| Compound Name |
6-[[2-[(3S,4R)-3-fluoro-4-hydroxypiperidin-1-yl]pyrimidin-4-yl]amino]-N-methyl-4-(propan-2-ylamino)pyridine-3-carboxamide
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| Structure |
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| Formula |
C19H26FN7O2
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| Molecular Weight |
403.462
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| Canonical SMILES |
CNC(=O)c1cnc(Nc2ccnc(n2)N2CC[C@@H](O)[C@@H](F)C2)cc1NC(C)C
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| InChI |
InChI=1S/C19H26FN7O2/c1-11(2)24-14-8-17(23-9-12(14)18(29)21-3)25-16-4-6-22-19(26-16)27-7-5-15(28)13(20)10-27/h4,6,8-9,11,13,15,28H,5,7,10H2,1-3H3,(H,21,29)(H2,22,23,24,25,26)/t13-,15+/m0/s1
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| InChIKey |
GSSUNCVMLHLMAZ-DZGCQCFKSA-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
Cell-based Assay