General Information of the Compound
| Compound ID |
CP0568457
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| Compound Name |
N-[4-[[7-[2-(azetidin-1-yl)-2-oxoethyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]oxy]-3-fluorophenyl]-3-(4-fluorophenyl)-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
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| Formula |
C32H31F2N7O5
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| Molecular Weight |
631.64
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(CC(=O)N5CCC5)CCc34)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C32H31F2N7O5/c1-19(2)40-15-24(31(44)41(32(40)45)22-7-4-20(33)5-8-22)29(43)37-21-6-9-27(25(34)14-21)46-30-23-10-13-38(16-26(23)35-18-36-30)17-28(42)39-11-3-12-39/h4-9,14-15,18-19H,3,10-13,16-17H2,1-2H3,(H,37,43)
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| InChIKey |
ULIRDGCRHUZAAA-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