General Information of the Compound
| Compound ID |
CP0634378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-{4-[(3,5-Ditert-butyl-4-hydroxyphenyl)-phenyl-methyl]-piperazin-1-yl}-3,3-diphenyl-propan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C40H48N2O2
|
||||||||||||||||||
| Molecular Weight |
588.836
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1cc(C(c2ccccc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc(C(C)(C)C)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C40H48N2O2/c1-39(2,3)34-26-32(27-35(38(34)44)40(4,5)6)37(31-20-14-9-15-21-31)42-24-22-41(23-25-42)36(43)28-33(29-16-10-7-11-17-29)30-18-12-8-13-19-30/h7-21,26-27,33,37,44H,22-25,28H2,1-6H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHCKOUZHHLPSDY-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