General Information of the Compound
| Compound ID |
CP0410130
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[[4-(dimethylamino)piperidin-1-yl]methyl]-N-[(1S)-1-phenylethyl]-2-[3-(trifluoromethyl)phenyl]quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H35F3N4O
|
||||||||||||||||||
| Molecular Weight |
560.664
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1c(CN2CCC(CC2)N(C)C)c(nc2ccccc12)-c1cccc(c1)C(F)(F)F)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H35F3N4O/c1-22(23-10-5-4-6-11-23)37-32(41)30-27-14-7-8-15-29(27)38-31(24-12-9-13-25(20-24)33(34,35)36)28(30)21-40-18-16-26(17-19-40)39(2)3/h4-15,20,22,26H,16-19,21H2,1-3H3,(H,37,41)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AKLNKBONZOBENF-QFIPXVFZSA-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: PT04567, Transient receptor potential cation channel subfamily V member 4
Protein ID: PT03081, Transient receptor potential cation channel subfamily V member 4