General Information of the Compound
| Compound ID |
CP0180162
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[6-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]-2,3-dihydro-1H-inden-1-yl]-1,2-oxazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N5O2S
|
||||||||||||||||||
| Molecular Weight |
473.602
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC1CCc2ccc(CCN3CCN(CC3)c3nsc4ccccc34)cc12)c1ccno1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N5O2S/c32-26(23-9-11-27-33-23)28-22-8-7-19-6-5-18(17-21(19)22)10-12-30-13-15-31(16-14-30)25-20-3-1-2-4-24(20)34-29-25/h1-6,9,11,17,22H,7-8,10,12-16H2,(H,28,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LHFRREYTABIJEO-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: PT01005, D(2) dopamine receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2