General Information of the Compound
| Compound ID |
CP0530762
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| Compound Name |
1-((1-(2-(4-chlorobenzyloxy)-5-bromobenzyl)-4-hydroxypiperidin-4-yl)methyl)-3-(2,6-diisopropylphenyl)urea
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| Structure |
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| Formula |
C33H41BrClN3O3
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| Molecular Weight |
643.066
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| Canonical SMILES |
CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(O)CCN(Cc2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C33H41BrClN3O3/c1-22(2)28-6-5-7-29(23(3)4)31(28)37-32(39)36-21-33(40)14-16-38(17-15-33)19-25-18-26(34)10-13-30(25)41-20-24-8-11-27(35)12-9-24/h5-13,18,22-23,40H,14-17,19-21H2,1-4H3,(H2,36,37,39)
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| InChIKey |
TVVGEQBGMZKVKU-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