General Information of the Compound
| Compound ID |
CP0442347
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| Compound Name |
1-(3-acetylphenyl)-3-[3-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]cyclohexyl]urea
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| Structure |
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| Formula |
C28H36FN3O2
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| Molecular Weight |
465.613
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| Canonical SMILES |
CC(=O)c1cccc(NC(=O)NC2CCCC(CN3CCC(Cc4ccc(F)cc4)CC3)C2)c1
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| InChI |
InChI=1S/C28H36FN3O2/c1-20(33)24-5-3-7-27(18-24)31-28(34)30-26-6-2-4-23(17-26)19-32-14-12-22(13-15-32)16-21-8-10-25(29)11-9-21/h3,5,7-11,18,22-23,26H,2,4,6,12-17,19H2,1H3,(H2,30,31,34)
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| InChIKey |
OUKVNSIWECXJGC-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