General Information of the Compound
| Compound ID |
CP0476957
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| Compound Name |
1-(3-Cyano-phenyl)-3-(2-{2-[4-(4-fluoro-benzyl)-piperidin-1-yl]-1-hydroxy-ethyl}-phenyl)-urea
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| Structure |
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| Formula |
C28H29FN4O2
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| Molecular Weight |
472.564
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| Canonical SMILES |
OC(CN1CCC(Cc2ccc(F)cc2)CC1)c1ccccc1NC(=O)Nc1cccc(c1)C#N
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| InChI |
InChI=1S/C28H29FN4O2/c29-23-10-8-20(9-11-23)16-21-12-14-33(15-13-21)19-27(34)25-6-1-2-7-26(25)32-28(35)31-24-5-3-4-22(17-24)18-30/h1-11,17,21,27,34H,12-16,19H2,(H2,31,32,35)
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| InChIKey |
RAJQVVGUPOWQBU-UHFFFAOYSA-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