General Information of the Compound
| Compound ID |
CP0547181
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 2-(4-bromophenyl)-2-propan-2-yl-5-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]pentanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34BrF3N2O2
|
||||||||||||||||||
| Molecular Weight |
555.479
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)C(CCCN1CCN(Cc2cccc(c2)C(F)(F)F)CC1)(C(C)C)c1ccc(Br)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34BrF3N2O2/c1-20(2)26(25(34)35-3,22-8-10-24(28)11-9-22)12-5-13-32-14-16-33(17-15-32)19-21-6-4-7-23(18-21)27(29,30)31/h4,6-11,18,20H,5,12-17,19H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIPPMQUMAJWJNB-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