General Information of the Compound
| Compound ID |
CP0567944
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| Compound Name |
(3S,4R)-3-fluoro-1-[4-[[8-(3-hydroxyazetidin-1-yl)-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]-3-methylpiperidin-4-ol
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| Formula |
C24H30FN7O2
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| Molecular Weight |
467.549
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| Canonical SMILES |
CC(C)c1cnc(N2CC(O)C2)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12
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| InChI |
InChI=1S/C24H30FN7O2/c1-14(2)17-9-28-22(32-11-15(33)12-32)18-10-27-21(8-16(17)18)29-20-4-6-26-23(30-20)31-7-5-19(34)24(3,25)13-31/h4,6,8-10,14-15,19,33-34H,5,7,11-13H2,1-3H3,(H,26,27,29,30)/t19-,24+/m1/s1
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| InChIKey |
JREDDTPLOBGIFI-DVECYGJZSA-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