General Information of the Compound
| Compound ID |
CP0534161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-tert-butylphenoxy)-1-[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]butan-2-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H38ClN3O2
|
||||||||||||||||||
| Molecular Weight |
484.084
|
||||||||||||||||||
| Canonical SMILES |
CN(CC(O)CCOc1ccc(cc1)C(C)(C)C)Cc1c(C)nn(Cc2ccccc2Cl)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H38ClN3O2/c1-20-26(21(2)32(30-20)17-22-9-7-8-10-27(22)29)19-31(6)18-24(33)15-16-34-25-13-11-23(12-14-25)28(3,4)5/h7-14,24,33H,15-19H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JSQLJURQKGBHPZ-UHFFFAOYSA-N
|
||||||||||||||||||
| 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
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
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 |
|
|---|
Table of Molecular Bioactivities Related to the Compound