General Information of the Compound
| Compound ID |
CP0913240
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-dimethylphenyl)piperazin-1-yl)propyl)-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H34ClN5O2
|
||||||||||||||||||
| Molecular Weight |
448.011
|
||||||||||||||||||
| Canonical SMILES |
COc1c(C)nc(C)nc1C(=O)NCCCN1CCN(c2cccc(C)c2C)CC1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H33N5O2.ClH/c1-16-8-6-9-20(17(16)2)28-14-12-27(13-15-28)11-7-10-24-23(29)21-22(30-5)18(3)25-19(4)26-21;/h6,8-9H,7,10-15H2,1-5H3,(H,24,29);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
UETCBWKKMOBPNY-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: PT00825, 5-hydroxytryptamine receptor 2A
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT00871, Sodium-dependent serotonin transporter