General Information of the Compound
| Compound ID |
CP0528040
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]-5-methyl-2-oxopyridin-3-yl]-3-(3-ethylphenyl)urea
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| Structure |
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| Formula |
C22H22ClN3O2
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| Molecular Weight |
395.89
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| Canonical SMILES |
CCc1cccc(NC(=O)Nc2cc(C)cn(Cc3ccccc3Cl)c2=O)c1
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| InChI |
InChI=1S/C22H22ClN3O2/c1-3-16-7-6-9-18(12-16)24-22(28)25-20-11-15(2)13-26(21(20)27)14-17-8-4-5-10-19(17)23/h4-13H,3,14H2,1-2H3,(H2,24,25,28)
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| InChIKey |
SBGKINWXVOXWGX-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