General Information of the Compound
| Compound ID |
CP0434559
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-N-[2-(4-chlorophenyl)ethyl]-1-(2-methylpyrimidin-4-yl)piperidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H23ClN4O
|
||||||||||||||||||
| Molecular Weight |
358.873
|
||||||||||||||||||
| Canonical SMILES |
Cc1nccc(n1)N1CCC[C@H](C1)C(=O)NCCc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H23ClN4O/c1-14-21-11-9-18(23-14)24-12-2-3-16(13-24)19(25)22-10-8-15-4-6-17(20)7-5-15/h4-7,9,11,16H,2-3,8,10,12-13H2,1H3,(H,22,25)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JUPRRGMZRSUAOX-MRXNPFEDSA-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: PT04975, G-protein coupled bile acid receptor 1
Protein ID: PT02509, G-protein coupled bile acid receptor 1