General Information of the Compound
| Compound ID |
CP0415242
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| Compound Name |
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[2-fluoro-4-[(2-oxo-1H-pyrido[2,3-b]pyrazin-8-yl)oxy]phenyl]urea
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| Structure |
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| Formula |
C21H12ClF4N5O3
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| Molecular Weight |
493.804
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| Canonical SMILES |
Fc1cc(Oc2ccnc3ncc(=O)[nH]c23)ccc1NC(=O)Nc1ccc(Cl)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C21H12ClF4N5O3/c22-13-3-1-10(7-12(13)21(24,25)26)29-20(33)30-15-4-2-11(8-14(15)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 |
PBHPDNBOQXHOTQ-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