General Information of the Compound
| Compound ID |
CP0495304
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9422293, 127
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29F3N6O
|
||||||||||||||||||
| Molecular Weight |
498.553
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nc2CCN(CCc2c(Nc2ccc(cc2)C(=O)N(C)C)n1)c1ncccc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29F3N6O/c1-16(2)22-32-21-12-15-35(24-20(26(27,28)29)6-5-13-30-24)14-11-19(21)23(33-22)31-18-9-7-17(8-10-18)25(36)34(3)4/h5-10,13,16H,11-12,14-15H2,1-4H3,(H,31,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CFZBRQSRVYVQPH-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: PT01914, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1