General Information of the Compound
| Compound ID |
CP0373627
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-[(quinolin-5-ylamino)methyl]pentan-2-yl]phenol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22F4N2O2
|
||||||||||||||||||
| Molecular Weight |
422.422
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CC(O)(CNc1cccc2ncccc12)C(F)(F)F)c1cc(F)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22F4N2O2/c1-20(2,16-11-14(23)8-9-19(16)29)12-21(30,22(24,25)26)13-28-18-7-3-6-17-15(18)5-4-10-27-17/h3-11,28-30H,12-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BCEBCGJPCPOGCH-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
Protein ID: PT00894, Androgen receptor
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay
Protein ID: PT01154, Mineralocorticoid receptor
Protein ID: PT01172, Progesterone receptor