General Information of the Compound
| Compound ID |
CP0485392
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| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-dimethoxyphenyl)urea
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| Structure |
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| Formula |
C29H33BrClN3O5
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| Molecular Weight |
618.956
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| Canonical SMILES |
COc1cccc(OC)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C29H33BrClN3O5/c1-37-25-4-3-5-26(38-2)27(25)33-28(35)32-19-29(36)12-14-34(15-13-29)17-21-16-22(30)8-11-24(21)39-18-20-6-9-23(31)10-7-20/h3-11,16,36H,12-15,17-19H2,1-2H3,(H2,32,33,35)
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| InChIKey |
SHOPLBXNUOLWBL-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