General Information of the Compound
| Compound ID |
CP0466789
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| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-mesitylurea
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| Structure |
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| Formula |
C30H35BrClN3O3
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| Molecular Weight |
600.985
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)NCC2(O)CCN(Cc3cc(Br)ccc3OCc3ccc(Cl)cc3)CC2)c(C)c1
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| InChI |
InChI=1S/C30H35BrClN3O3/c1-20-14-21(2)28(22(3)15-20)34-29(36)33-19-30(37)10-12-35(13-11-30)17-24-16-25(31)6-9-27(24)38-18-23-4-7-26(32)8-5-23/h4-9,14-16,37H,10-13,17-19H2,1-3H3,(H2,33,34,36)
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| InChIKey |
UKVXOWSYJCCNAA-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