General Information of the Compound
| Compound ID |
CP0406102
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2-methyl-5-phenyl-1H-pyrrole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N4O
|
||||||||||||||||||
| Molecular Weight |
430.596
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c(cc1C(=O)NCCCN1CCN(CC1)c1cccc(C)c1C)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N4O/c1-20-9-7-12-26(21(20)2)31-17-15-30(16-18-31)14-8-13-28-27(32)24-19-25(29-22(24)3)23-10-5-4-6-11-23/h4-7,9-12,19,29H,8,13-18H2,1-3H3,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZHJLELZQHCGSD-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