General Information of the Compound
| Compound ID |
CP0563477
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| Compound Name |
3-(4-fluorophenyl)-N-[3-fluoro-4-[[7-(3-pyrrolidin-1-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]phenyl]-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C34H35F2N7O5
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| Molecular Weight |
659.694
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CCc34)C(=O)CCN3CCCC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C34H35F2N7O5/c1-21(2)42-18-26(33(46)43(34(42)47)24-8-5-22(35)6-9-24)31(45)39-23-7-10-29(27(36)17-23)48-32-25-11-16-41(19-28(25)37-20-38-32)30(44)12-15-40-13-3-4-14-40/h5-10,17-18,20-21H,3-4,11-16,19H2,1-2H3,(H,39,45)
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| InChIKey |
YINIQNXRRAYBRJ-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