General Information of the Compound
| Compound ID |
CP0485744
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| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,4,6-trichlorophenyl)urea
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| Structure |
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| Formula |
C27H26BrCl4N3O3
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| Molecular Weight |
662.239
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| Canonical SMILES |
OC1(CNC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C27H26BrCl4N3O3/c28-19-3-6-24(38-15-17-1-4-20(29)5-2-17)18(11-19)14-35-9-7-27(37,8-10-35)16-33-26(36)34-25-22(31)12-21(30)13-23(25)32/h1-6,11-13,37H,7-10,14-16H2,(H2,33,34,36)
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| InChIKey |
VKWCQDVRWAFFKO-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