General Information of the Compound
| Compound ID |
CP0434409
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| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(4-fluorophenyl)urea
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| Structure |
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| Formula |
C27H28BrClFN3O3
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| Molecular Weight |
576.894
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| Canonical SMILES |
OC1(CNC(=O)Nc2ccc(F)cc2)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C27H28BrClFN3O3/c28-21-3-10-25(36-17-19-1-4-22(29)5-2-19)20(15-21)16-33-13-11-27(35,12-14-33)18-31-26(34)32-24-8-6-23(30)7-9-24/h1-10,15,35H,11-14,16-18H2,(H2,31,32,34)
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| InChIKey |
JXUFFSVTTKFZEJ-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