General Information of the Compound
| Compound ID |
CP0579474
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| Compound Name |
1-[3-(dimethylamino)cyclobutyl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C25H34FN3O2
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| Molecular Weight |
427.564
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CC(C2)N(C)C)cc1
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| InChI |
InChI=1S/C25H34FN3O2/c1-18(2)17-31-24-11-7-19(8-12-24)15-27-25(30)29(23-13-22(14-23)28(3)4)16-20-5-9-21(26)10-6-20/h5-12,18,22-23H,13-17H2,1-4H3,(H,27,30)
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| InChIKey |
PKUDSBMXDFJITK-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