General Information of the Compound
| Compound ID |
CP0365521
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| Compound Name |
N-[3-fluoro-4-[[7-(1-methylazetidin-3-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C31H31F2N7O4
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| Molecular Weight |
603.63
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C3CN(C)C3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C31H31F2N7O4/c1-18(2)39-15-24(30(42)40(31(39)43)21-7-4-19(32)5-8-21)28(41)36-20-6-9-27(25(33)12-20)44-29-23-10-11-38(22-13-37(3)14-22)16-26(23)34-17-35-29/h4-9,12,15,17-18,22H,10-11,13-14,16H2,1-3H3,(H,36,41)
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| InChIKey |
GVCDBKPGHJYKCP-UHFFFAOYSA-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: PT07205, Tyrosine-protein kinase Mer
Protein ID: PT07477, Tyrosine-protein kinase receptor UFO