General Information of the Compound
| Compound ID |
CP0458311
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| Compound Name |
1-[2-fluoro-5-(trifluoromethyl)phenyl]-3-[3-(5-phenyl-1H-pyrrolo[2,3-b]pyridin-3-yl)phenyl]urea
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| Structure |
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| Formula |
C27H18F4N4O
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| Molecular Weight |
490.46
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| Canonical SMILES |
Fc1ccc(cc1NC(=O)Nc1cccc(c1)-c1c[nH]c2ncc(cc12)-c1ccccc1)C(F)(F)F
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| InChI |
InChI=1S/C27H18F4N4O/c28-23-10-9-19(27(29,30)31)13-24(23)35-26(36)34-20-8-4-7-17(11-20)22-15-33-25-21(22)12-18(14-32-25)16-5-2-1-3-6-16/h1-15H,(H,32,33)(H2,34,35,36)
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| InChIKey |
XHFYVNWXSOUNAK-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