General Information of the Compound
| Compound ID |
CP0533043
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-[N-benzyl-4-(trifluoromethoxy)anilino]piperidin-1-yl]butyl]-3,5-dichloropyridine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H31Cl2F3N4O2
|
||||||||||||||||||
| Molecular Weight |
595.493
|
||||||||||||||||||
| Canonical SMILES |
CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(OC(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H31Cl2F3N4O2/c1-20(11-14-36-28(39)27-25(30)17-35-18-26(27)31)37-15-12-23(13-16-37)38(19-21-5-3-2-4-6-21)22-7-9-24(10-8-22)40-29(32,33)34/h2-10,17-18,20,23H,11-16,19H2,1H3,(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPMZGJWNLYVXKB-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