General Information of the Compound
| Compound ID |
CP0287369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-(3R,4S)-6-(1H-indol-7-yl)-2,2,4,7,8-pentamethyl-1,2,3,4-tetrahydroquinolin-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N2O
|
||||||||||||||||||
| Molecular Weight |
334.463
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1[C@@H](O)C(C)(C)Nc2c(C)c(C)c(cc12)-c1cccc2cc[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N2O/c1-12-13(2)19-18(14(3)21(25)22(4,5)24-19)11-17(12)16-8-6-7-15-9-10-23-20(15)16/h6-11,14,21,23-25H,1-5H3/t14-,21+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KXNPOCDDDALEBH-LHSJRXKWSA-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: PT00967, Glucocorticoid receptor