General Information of the Compound
| Compound ID |
CP0577081
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| Compound Name |
1-[3-(dimethylamino)cyclohexyl]-1-[(4-fluorophenyl)methyl]-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
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| Structure |
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| Formula |
C27H38FN3O2
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| Molecular Weight |
455.618
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| Canonical SMILES |
CC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCCC(C2)N(C)C)cc1
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| InChI |
InChI=1S/C27H38FN3O2/c1-20(2)19-33-26-14-10-21(11-15-26)17-29-27(32)31(18-22-8-12-23(28)13-9-22)25-7-5-6-24(16-25)30(3)4/h8-15,20,24-25H,5-7,16-19H2,1-4H3,(H,29,32)
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| InChIKey |
JVBIDOCRGZAHID-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