General Information of the Compound
| Compound ID |
CP0365520
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| Compound Name |
N-[4-[[6-(cyclopropanecarbonyl)-5,7-dihydropyrrolo[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 |
C30H26F2N6O5
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| Molecular Weight |
588.571
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| Canonical SMILES |
CC(C)n1cc(C(=O)Nc2ccc(Oc3ncnc4CN(Cc34)C(=O)C3CC3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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| InChI |
InChI=1S/C30H26F2N6O5/c1-16(2)37-13-22(29(41)38(30(37)42)20-8-5-18(31)6-9-20)26(39)35-19-7-10-25(23(32)11-19)43-27-21-12-36(28(40)17-3-4-17)14-24(21)33-15-34-27/h5-11,13,15-17H,3-4,12,14H2,1-2H3,(H,35,39)
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| InChIKey |
ILAOYSDQDJLLBD-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