General Information of the Compound
| Compound ID |
CP0501705
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| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(4-bromo-2,6-dimethylphenyl)urea
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| Structure |
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| Formula |
C29H32Br2ClN3O3
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| Molecular Weight |
665.854
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| Canonical SMILES |
Cc1cc(Br)cc(C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C29H32Br2ClN3O3/c1-19-13-24(31)14-20(2)27(19)34-28(36)33-18-29(37)9-11-35(12-10-29)16-22-15-23(30)5-8-26(22)38-17-21-3-6-25(32)7-4-21/h3-8,13-15,37H,9-12,16-18H2,1-2H3,(H2,33,34,36)
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| InChIKey |
ULIOLEOZQSNLLB-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