General Information of the Compound
| Compound ID |
CP0573155
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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,N-dimethylazetidine-3-carboxamide
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| Formula |
C27H35FN8O2
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| Molecular Weight |
522.629
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| Canonical SMILES |
CC(C)c1cnc(N2CC(C2)C(=O)N(C)C)c2cnc(Nc3ccnc(n3)N3CC[C@@H](O)[C@@](C)(F)C3)cc12
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| InChI |
InChI=1S/C27H35FN8O2/c1-16(2)19-11-31-24(36-13-17(14-36)25(38)34(4)5)20-12-30-23(10-18(19)20)32-22-6-8-29-26(33-22)35-9-7-21(37)27(3,28)15-35/h6,8,10-12,16-17,21,37H,7,9,13-15H2,1-5H3,(H,29,30,32,33)/t21-,27+/m1/s1
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| InChIKey |
KBEALQIKOQDNNI-ZBLYBZFDSA-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