General Information of the Compound
| Compound ID |
CP0497886
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(4-methoxy-phenyl)-urea
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| Structure |
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| Formula |
C27H36FN3O2
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| Molecular Weight |
453.602
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| Canonical SMILES |
COc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CN2CCC[C@@H](Cc3ccc(F)cc3)C2)cc1
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| InChI |
InChI=1S/C27H36FN3O2/c1-33-25-14-12-24(13-15-25)29-27(32)30-26-7-3-2-6-22(26)19-31-16-4-5-21(18-31)17-20-8-10-23(28)11-9-20/h8-15,21-22,26H,2-7,16-19H2,1H3,(H2,29,30,32)/t21-,22-,26+/m0/s1
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| InChIKey |
OEKONQSOWUDFGV-AOJNWGRGSA-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