General Information of the Compound
| Compound ID |
CP0527128
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxopyridin-3-yl]-3-(3-methoxyphenyl)urea
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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(NC(=O)Nc2cc(C)cn(Cc3ccccc3Cl)c2=O)c1
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| InChI |
InChI=1S/C21H20ClN3O3/c1-14-10-19(24-21(27)23-16-7-5-8-17(11-16)28-2)20(26)25(12-14)13-15-6-3-4-9-18(15)22/h3-12H,13H2,1-2H3,(H2,23,24,27)
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| InChIKey |
PHCHVFDVXVWQNX-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