General Information of the Compound
| Compound ID |
CP0525130
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| Compound Name |
2-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydroindol-1-yl]-1-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone
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| Structure |
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| Formula |
C24H19F4N5O
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| Molecular Weight |
469.442
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| Canonical SMILES |
Cn1cc(-c2ccc3N(CC(=O)c4cc(F)cc(c4)C(F)(F)F)CCc3c2)c2c(N)ncnc12
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| InChI |
InChI=1S/C24H19F4N5O/c1-32-10-18(21-22(29)30-12-31-23(21)32)13-2-3-19-14(6-13)4-5-33(19)11-20(34)15-7-16(24(26,27)28)9-17(25)8-15/h2-3,6-10,12H,4-5,11H2,1H3,(H2,29,30,31)
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| InChIKey |
ZWDWGLVLLJCBMR-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: PT02815, Eukaryotic translation initiation factor 2-alpha kinase 3