General Information of the Compound
| Compound ID |
CP0372546
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| Compound Name |
1-[2-fluoro-4-[(3-methyl-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 |
C22H14F5N5O3
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| Molecular Weight |
491.376
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| Canonical SMILES |
Cc1nc2nccc(Oc3ccc(NC(=O)Nc4cc(ccc4F)C(F)(F)F)c(F)c3)c2[nH]c1=O
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| InChI |
InChI=1S/C22H14F5N5O3/c1-10-20(33)32-18-17(6-7-28-19(18)29-10)35-12-3-5-15(14(24)9-12)30-21(34)31-16-8-11(22(25,26)27)2-4-13(16)23/h2-9H,1H3,(H,32,33)(H2,30,31,34)
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| InChIKey |
CWWQDIIQANAFAA-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