General Information of the Compound
| Compound ID |
CP0501434
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N,N-dimethyl-4-[[2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]amino]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32F3N7O2S
|
||||||||||||||||||
| Molecular Weight |
575.661
|
||||||||||||||||||
| Canonical SMILES |
CN(C)S(=O)(=O)c1ccc(Nc2nc(nc3CCN(CCc23)c2ncccc2C(F)(F)F)N2CCCCC2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32F3N7O2S/c1-35(2)40(38,39)20-10-8-19(9-11-20)32-24-21-12-17-36(25-22(27(28,29)30)7-6-14-31-25)18-13-23(21)33-26(34-24)37-15-4-3-5-16-37/h6-11,14H,3-5,12-13,15-18H2,1-2H3,(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNUVXHWRVVZLEF-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: PT02183, Transient receptor potential cation channel subfamily V member 1
Protein ID: PT01914, Transient receptor potential cation channel subfamily V member 1