General Information of the Compound
| Compound ID |
CP0329292
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl methyl(phenyl)carbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27F2N3O2
|
||||||||||||||||||
| Molecular Weight |
475.539
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1[C@@H](OC(=O)N(C)c2ccccc2)C(C)(C)Nc2cc(F)c(c(F)c12)-c1cccc2cc[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27F2N3O2/c1-16-22-21(15-20(29)23(24(22)30)19-12-8-9-17-13-14-31-25(17)19)32-28(2,3)26(16)35-27(34)33(4)18-10-6-5-7-11-18/h5-16,26,31-32H,1-4H3/t16-,26+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CGGZTWVBUGIESH-YHAMSUFESA-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