General Information of the Compound
| Compound ID |
CP0546834
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| Compound Name |
(3S,4R)-3-fluoro-1-[4-[[8-(methylamino)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
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| Formula |
C21H26FN7O
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| Molecular Weight |
411.485
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| Canonical SMILES |
CNc1ncc(C(C)C)c2cc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@H](F)C3)ncc12
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| InChI |
InChI=1S/C21H26FN7O/c1-12(2)14-9-26-20(23-3)15-10-25-19(8-13(14)15)27-18-4-6-24-21(28-18)29-7-5-17(30)16(22)11-29/h4,6,8-10,12,16-17,30H,5,7,11H2,1-3H3,(H,23,26)(H,24,25,27,28)/t16-,17+/m0/s1
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| InChIKey |
VJKNRVJKHOCCCG-DLBZAZTESA-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