General Information of the Compound
| Compound ID |
CP0853005
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(3-(4-(2,3-Dichlorophenyl)piperazin-1-yl)-2-hydroxypropyl)-1-(2-methoxyphenyl)-2,5-dimethyl-1H-imidazole-4-carboxamide dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H35Cl6N5O3
|
||||||||||||||||||
| Molecular Weight |
678.316
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-n1c(C)nc(C(=O)NCC(O)CN2CCN(c3cccc(Cl)c3Cl)CC2)c1C.Cl.Cl.Cl.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H31Cl2N5O3.4ClH/c1-17-25(30-18(2)33(17)21-8-4-5-10-23(21)36-3)26(35)29-15-19(34)16-31-11-13-32(14-12-31)22-9-6-7-20(27)24(22)28;;;;/h4-10,19,34H,11-16H2,1-3H3,(H,29,35);4*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFQCUMCROPJRDA-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