General Information of the Compound
| Compound ID |
CP0528639
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| Compound Name |
1-[1-[(2-chloro-5-fluorophenyl)methyl]-2-oxopyridin-3-yl]-3-(3-methoxyphenyl)urea
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| Structure |
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| Formula |
C20H17ClFN3O3
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| Molecular Weight |
401.825
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| Canonical SMILES |
COc1cccc(NC(=O)Nc2cccn(Cc3cc(F)ccc3Cl)c2=O)c1
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| InChI |
InChI=1S/C20H17ClFN3O3/c1-28-16-5-2-4-15(11-16)23-20(27)24-18-6-3-9-25(19(18)26)12-13-10-14(22)7-8-17(13)21/h2-11H,12H2,1H3,(H2,23,24,27)
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| InChIKey |
MZFHOQAUYKWFMK-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