General Information of the Compound
| Compound ID |
CP0501833
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[4-[[6-[4-(2-phenylphenyl)piperazin-1-yl]hexanoylamino]methyl]phenyl] methanesulfonate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H37N3O4S
|
||||||||||||||||||
| Molecular Weight |
535.71
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)Oc1ccc(CNC(=O)CCCCCN2CCN(CC2)c2ccccc2-c2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H37N3O4S/c1-38(35,36)37-27-17-15-25(16-18-27)24-31-30(34)14-6-3-9-19-32-20-22-33(23-21-32)29-13-8-7-12-28(29)26-10-4-2-5-11-26/h2,4-5,7-8,10-13,15-18H,3,6,9,14,19-24H2,1H3,(H,31,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SAUWQAUYYQRKAV-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: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT01746, 5-hydroxytryptamine receptor 7
Protein ID: PT01005, D(2) dopamine receptor