General Information of the Compound
| Compound ID |
CP0545326
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| Compound Name |
1-[2-fluoro-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H12F5N5O3
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| Molecular Weight |
477.349
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| Canonical SMILES |
Fc1ccc(cc1NC(=O)Nc1ccc(Oc2ccnc3ncc(=O)[nH]c23)cc1F)C(F)(F)F
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| InChI |
InChI=1S/C21H12F5N5O3/c22-12-3-1-10(21(24,25)26)7-15(12)30-20(33)29-14-4-2-11(8-13(14)23)34-16-5-6-27-19-18(16)31-17(32)9-28-19/h1-9H,(H,31,32)(H2,29,30,33)
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| InChIKey |
VOFRUKIEICCSTG-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