General Information of the Compound
| Compound ID |
CP0439848
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| Compound Name |
1-[3-[5-(4-aminophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C27H19F4N5O
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| Molecular Weight |
505.475
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| Canonical SMILES |
Nc1ccc(cc1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C27H19F4N5O/c28-23-9-6-18(27(29,30)31)12-24(23)36-26(37)35-20-3-1-2-16(10-20)22-14-34-25-21(22)11-17(13-33-25)15-4-7-19(32)8-5-15/h1-14H,32H2,(H,33,34)(H2,35,36,37)
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| InChIKey |
QFAPOWQTBPKCIL-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: PT00954, Receptor-interacting serine/threonine-protein kinase 1