General Information of the Compound
| Compound ID |
CP0505683
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| Compound Name |
1-(4-Bromo-phenyl)-3-{(1R,2S)-2-[(S)-3-(4-fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-urea
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| Structure |
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| Formula |
C26H33BrFN3O
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| Molecular Weight |
502.472
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3ccc(Br)cc3)C2)cc1
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| InChI |
InChI=1S/C26H33BrFN3O/c27-22-9-13-24(14-10-22)29-26(32)30-25-6-2-1-5-21(25)18-31-15-3-4-20(17-31)16-19-7-11-23(28)12-8-19/h7-14,20-21,25H,1-6,15-18H2,(H2,29,30,32)/t20-,21-,25+/m0/s1
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| InChIKey |
XOLRUKHPGCIPJW-STWLZBDKSA-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