General Information of the Compound
| Compound ID |
CP0494845
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| Compound Name |
1-{(1R,2S)-2-[(S)-3-(4-Fluoro-benzyl)-piperidin-1-ylmethyl]-cyclohexyl}-3-(2-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)Nc3ccccc3F)C2)cc1
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| InChI |
InChI=1S/C26H33F2N3O/c27-22-13-11-19(12-14-22)16-20-6-5-15-31(17-20)18-21-7-1-3-9-24(21)29-26(32)30-25-10-4-2-8-23(25)28/h2,4,8,10-14,20-21,24H,1,3,5-7,9,15-18H2,(H2,29,30,32)/t20-,21-,24+/m0/s1
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| InChIKey |
MXFQLVWOVUVANY-AWRGLXIESA-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