General Information of the Compound
| Compound ID |
CP0497136
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| Compound Name |
1-[4-[(3-amino-2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]-2-fluorophenyl]-3-[2-fluoro-5-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C21H13F5N6O3
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| Molecular Weight |
492.364
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| Canonical SMILES |
Nc1nc2nccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)c2[nH]c1=O
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| InChI |
InChI=1S/C21H13F5N6O3/c22-11-3-1-9(21(24,25)26)7-14(11)30-20(34)29-13-4-2-10(8-12(13)23)35-15-5-6-28-18-16(15)31-19(33)17(27)32-18/h1-8H,(H,31,33)(H2,27,28,32)(H2,29,30,34)
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| InChIKey |
XQJJBAPBHLSCNP-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