General Information of the Compound
| Compound ID |
CP0568878
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| Compound Name |
(3S,4R)-3-fluoro-1-[4-[[8-[(2R,3S)-3-hydroxy-2-methylazetidin-1-yl]-5-propan-2-yl-2,6-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
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| Structure |
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| Formula |
C25H32FN7O2
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| Molecular Weight |
481.576
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| Canonical SMILES |
CC(C)c1ncc(N2C[C@H](O)[C@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12
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| InChI |
InChI=1S/C25H32FN7O2/c1-14(2)23-16-9-22(28-10-17(16)18(11-29-23)33-12-19(34)15(33)3)30-21-5-7-27-24(31-21)32-8-6-20(35)25(4,26)13-32/h5,7,9-11,14-15,19-20,34-35H,6,8,12-13H2,1-4H3,(H,27,28,30,31)/t15-,19+,20-,25+/m1/s1
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| InChIKey |
QLZFYULSUWJNSF-YSHIBNCASA-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