General Information of the Compound
| Compound ID |
CP0472052
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(6-oxo-1H-pyridin-3-yl)pentyl]-2-[1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidin-4-yl]acetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H35F3N4O2
|
||||||||||||||||||
| Molecular Weight |
528.619
|
||||||||||||||||||
| Canonical SMILES |
CCCCC(NC(=O)CC1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1)c1ccc(=O)[nH]c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H35F3N4O2/c1-2-3-4-26(23-5-10-27(37)33-18-23)34-28(38)17-21-11-14-35(15-12-21)19-22-13-16-36(20-22)25-8-6-24(7-9-25)29(30,31)32/h5-10,13,16,18,20-21,26H,2-4,11-12,14-15,17,19H2,1H3,(H,33,37)(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ORCCEUNUHQADKD-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: PT01027, Melanin-concentrating hormone receptor 1
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2