General Information of the Compound
| Compound ID |
CP0432265
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| Compound Name |
3-[3-[3-[[2-fluoro-5-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
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| Structure |
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| Formula |
C28H19F4N5O2
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| Molecular Weight |
533.485
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1cnc2[nH]cc(-c3cccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c3)c2c1
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| InChI |
InChI=1S/C28H19F4N5O2/c29-23-8-7-19(28(30,31)32)12-24(23)37-27(39)36-20-6-2-4-16(10-20)22-14-35-26-21(22)11-18(13-34-26)15-3-1-5-17(9-15)25(33)38/h1-14H,(H2,33,38)(H,34,35)(H2,36,37,39)
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| InChIKey |
VNKUEEYDAKRQLH-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