General Information of the Compound
| Compound ID |
CP0407082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-7-(2,5-difluorobenzyloxy)-2-(piperazin-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H21F2N3O
|
||||||||||||||||||
| Molecular Weight |
345.393
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc(F)c(CO[C@H]2CCc3ccc(nc23)N2CCNCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H21F2N3O/c20-15-3-4-16(21)14(11-15)12-25-17-5-1-13-2-6-18(23-19(13)17)24-9-7-22-8-10-24/h2-4,6,11,17,22H,1,5,7-10,12H2/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PUSWEWCVDWRQPZ-KRWDZBQOSA-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: PT01492, 5-hydroxytryptamine receptor 2A
Protein ID: PT01019, 5-hydroxytryptamine receptor 2B