General Information of the Compound
| Compound ID |
CP0526270
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| Compound Name |
1-[1-[(2-chloro-6-fluorophenyl)methyl]-2-oxopyridin-3-yl]-3-(3-ethylphenyl)urea
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| Structure |
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| Formula |
C21H19ClFN3O2
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| Molecular Weight |
399.853
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| Canonical SMILES |
CCc1cccc(NC(=O)Nc2cccn(Cc3c(F)cccc3Cl)c2=O)c1
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| InChI |
InChI=1S/C21H19ClFN3O2/c1-2-14-6-3-7-15(12-14)24-21(28)25-19-10-5-11-26(20(19)27)13-16-17(22)8-4-9-18(16)23/h3-12H,2,13H2,1H3,(H2,24,25,28)
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| InChIKey |
FSFJARIAQGOCBF-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