General Information of the Compound
| Compound ID |
CP0497487
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[[2-[[2-cyclopropyloxy-5-(trifluoromethoxy)phenyl]methylamino]-1-(4-fluorophenyl)-8-azabicyclo[3.2.1]octan-6-yl]methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H33F4N3O4S
|
||||||||||||||||||
| Molecular Weight |
619.681
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(cc1)C12CC(CNS(=O)(=O)c3ccccc3)C(CCC1NCc1cc(OC(F)(F)F)ccc1OC1CC1)N2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H33F4N3O4S/c32-23-8-6-22(7-9-23)30-17-21(19-37-43(39,40)26-4-2-1-3-5-26)27(38-30)13-15-29(30)36-18-20-16-25(42-31(33,34)35)12-14-28(20)41-24-10-11-24/h1-9,12,14,16,21,24,27,29,36-38H,10-11,13,15,17-19H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
KKKGFVLMGTXNNX-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01410, Substance-P receptor