General Information of the Compound
| Compound ID |
CP0386836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4085233
Show/Hide
|
||||||||||||||||||
| Formula |
C22H23F3N4O3
|
||||||||||||||||||
| Molecular Weight |
448.445
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)N1CCC(CC1)c1cc(O)n2nc(C)c(-c3ccc(cc3)C(F)(F)F)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F3N4O3/c1-3-32-21(31)28-10-8-14(9-11-28)17-12-18(30)29-20(26-17)19(13(2)27-29)15-4-6-16(7-5-15)22(23,24)25/h4-7,12,14,30H,3,8-11H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JCCIFATWQJZIDU-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 | |||||||||||||||||||
| 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: PT05347, Short transient receptor potential channel 3
Protein ID: PT06402, Short transient receptor potential channel 6
Protein ID: PT06627, Short transient receptor potential channel 7