General Information of the Compound
| Compound ID |
CP0407595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(2,4-dichloro-6-hydroxyphenyl)methyl]-1-[[1-[4-(trifluoromethyl)phenyl]pyrrol-3-yl]methyl]piperidine-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24Cl2F3N3O2
|
||||||||||||||||||
| Molecular Weight |
526.386
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(Cl)cc(Cl)c1CNC(=O)C1CCN(Cc2ccn(c2)-c2ccc(cc2)C(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24Cl2F3N3O2/c26-19-11-22(27)21(23(34)12-19)13-31-24(35)17-6-8-32(9-7-17)14-16-5-10-33(15-16)20-3-1-18(2-4-20)25(28,29)30/h1-5,10-12,15,17,34H,6-9,13-14H2,(H,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PRURCEGUXKSSRQ-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