General Information of the Compound
| Compound ID |
CP0378086
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(3-fluoro-phenyl)-urea
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| Structure |
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| Formula |
C26H33F2N3O
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| Molecular Weight |
441.566
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| Canonical SMILES |
Fc1ccc(C[C@@H]2CCCN(C[C@@H]3CCCC[C@H]3NC(=O)Nc3cccc(F)c3)C2)cc1
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| InChI |
InChI=1S/C26H33F2N3O/c27-22-12-10-19(11-13-22)15-20-5-4-14-31(17-20)18-21-6-1-2-9-25(21)30-26(32)29-24-8-3-7-23(28)16-24/h3,7-8,10-13,16,20-21,25H,1-2,4-6,9,14-15,17-18H2,(H2,29,30,32)/t20-,21-,25+/m0/s1
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| InChIKey |
VQULRVZLPVJKAU-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