General Information of the Compound
| Compound ID |
CP0568872
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| Compound Name |
(3S,4R)-3-fluoro-3-methyl-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 |
C22H28FN7O
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| Molecular Weight |
425.512
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| Canonical SMILES |
CNc1ncc(C(C)C)c2cc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)ncc12
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| InChI |
InChI=1S/C22H28FN7O/c1-13(2)15-10-27-20(24-4)16-11-26-19(9-14(15)16)28-18-5-7-25-21(29-18)30-8-6-17(31)22(3,23)12-30/h5,7,9-11,13,17,31H,6,8,12H2,1-4H3,(H,24,27)(H,25,26,28,29)/t17-,22+/m1/s1
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| InChIKey |
RHTSOOOZJCGDLW-VGSWGCGISA-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