General Information of the Compound
| Compound ID |
CP0439545
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-o-tolyl-urea
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| Structure |
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| Formula |
C27H36FN3O
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| Molecular Weight |
437.603
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| Canonical SMILES |
Cc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1CN1CCC[C@@H](Cc2ccc(F)cc2)C1
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| InChI |
InChI=1S/C27H36FN3O/c1-20-7-2-4-10-25(20)29-27(32)30-26-11-5-3-9-23(26)19-31-16-6-8-22(18-31)17-21-12-14-24(28)15-13-21/h2,4,7,10,12-15,22-23,26H,3,5-6,8-9,11,16-19H2,1H3,(H2,29,30,32)/t22-,23-,26+/m0/s1
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| InChIKey |
AUZDFHZZRBZEPU-JCYRPKCISA-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