General Information of the Compound
| Compound ID |
CP0519788
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]-2-oxopyridin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C20H15ClF3N3O2
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| Molecular Weight |
421.806
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| Canonical SMILES |
FC(F)(F)c1ccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)cc1
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| InChI |
InChI=1S/C20H15ClF3N3O2/c21-16-5-2-1-4-13(16)12-27-11-3-6-17(18(27)28)26-19(29)25-15-9-7-14(8-10-15)20(22,23)24/h1-11H,12H2,(H2,25,26,29)
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| InChIKey |
HCVJWQNCDPNWPW-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