General Information of the Compound
| Compound ID |
CP0447686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(cyclopropylmethyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]naphthalene-1-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O2S
|
||||||||||||||||||
| Molecular Weight |
463.647
|
||||||||||||||||||
| Canonical SMILES |
O=S(=O)(N(CCCN1CCN(CC1)c1ccccc1)CC1CC1)c1cccc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O2S/c31-33(32,27-13-6-9-24-8-4-5-12-26(24)27)30(22-23-14-15-23)17-7-16-28-18-20-29(21-19-28)25-10-2-1-3-11-25/h1-6,8-13,23H,7,14-22H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHYJMKNQHZIKJN-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: PT00941, 5-hydroxytryptamine receptor 7