General Information of the Compound
| Compound ID |
CP0136154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[5-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]butanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4OS
|
||||||||||||||||||
| Molecular Weight |
448.636
|
||||||||||||||||||
| Canonical SMILES |
CCCC(=O)NC1CCc2cc(CCN3CCN(CC3)c3nsc4ccccc34)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4OS/c1-2-5-25(31)27-23-11-9-20-18-19(8-10-21(20)23)12-13-29-14-16-30(17-15-29)26-22-6-3-4-7-24(22)32-28-26/h3-4,6-8,10,18,23H,2,5,9,11-17H2,1H3,(H,27,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
KVDPUCCGORKFOD-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: PT00897, Potassium voltage-gated channel subfamily H member 2