General Information of the Compound
| Compound ID |
CP0519789
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| Compound Name |
3-[1-[(2-chlorophenyl)methyl]-2-oxopyridin-3-yl]-1-(3-methoxyphenyl)-1-methylurea
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| Structure |
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| Formula |
C21H20ClN3O3
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| Molecular Weight |
397.862
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| Canonical SMILES |
COc1cccc(c1)N(C)C(=O)Nc1cccn(Cc2ccccc2Cl)c1=O
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| InChI |
InChI=1S/C21H20ClN3O3/c1-24(16-8-5-9-17(13-16)28-2)21(27)23-19-11-6-12-25(20(19)26)14-15-7-3-4-10-18(15)22/h3-13H,14H2,1-2H3,(H,23,27)
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| InChIKey |
ILODTOTVCDWNCF-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