General Information of the Compound
| Compound ID |
CP0545096
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| Compound Name |
(3S,4R)-3-fluoro-3-methyl-1-[4-[[8-[(2S)-2-methylazetidin-1-yl]-5-propan-2-yl-2,7-naphthyridin-3-yl]amino]pyrimidin-2-yl]piperidin-4-ol
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| Formula |
C25H32FN7O
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| Molecular Weight |
465.577
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| Canonical SMILES |
CC(C)c1cnc(N2CC[C@@H]2C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12
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| InChI |
InChI=1S/C25H32FN7O/c1-15(2)18-12-29-23(33-10-6-16(33)3)19-13-28-22(11-17(18)19)30-21-5-8-27-24(31-21)32-9-7-20(34)25(4,26)14-32/h5,8,11-13,15-16,20,34H,6-7,9-10,14H2,1-4H3,(H,27,28,30,31)/t16-,20+,25-/m0/s1
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| InChIKey |
LUEQIDIGIGWGLR-ZCPGDWHISA-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