General Information of the Compound
| Compound ID |
CP0502702
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| Compound Name |
1-[1-[(2-chlorophenyl)methyl]-2-oxopyridin-3-yl]-3-(3-propan-2-ylphenyl)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 |
CC(C)c1cccc(NC(=O)Nc2cccn(Cc3ccccc3Cl)c2=O)c1
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| InChI |
InChI=1S/C22H22ClN3O2/c1-15(2)16-8-5-9-18(13-16)24-22(28)25-20-11-6-12-26(21(20)27)14-17-7-3-4-10-19(17)23/h3-13,15H,14H2,1-2H3,(H2,24,25,28)
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| InChIKey |
TTZHVTXMSOMEMG-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