General Information of the Compound
| Compound ID |
CP0569543
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| Compound Name |
1-[6-[[2-[(3S,4R)-3-fluoro-4-hydroxy-3-methylpiperidin-1-yl]pyrimidin-4-yl]amino]-4-propan-2-yl-2,7-naphthyridin-1-yl]-N-methylazetidine-3-carboxamide
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| Formula |
C26H33FN8O2
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| Molecular Weight |
508.602
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| Canonical SMILES |
CNC(=O)C1CN(C1)c1ncc(C(C)C)c2cc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)ncc12
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| InChI |
InChI=1S/C26H33FN8O2/c1-15(2)18-10-31-23(35-12-16(13-35)24(37)28-4)19-11-30-22(9-17(18)19)32-21-5-7-29-25(33-21)34-8-6-20(36)26(3,27)14-34/h5,7,9-11,15-16,20,36H,6,8,12-14H2,1-4H3,(H,28,37)(H,29,30,32,33)/t20-,26+/m1/s1
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| InChIKey |
URIYZCBXTNEXJL-IBVKSMDESA-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