General Information of the Compound
| Compound ID |
CP0379562
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3R)-spiro[cyclopentane-3,9'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-1-yl]-3,6-dihydro-2H-pyridine-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27NO2
|
||||||||||||||||||
| Molecular Weight |
373.496
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)C1=CCCN(C1)C1CC[C@]2(C1)Cc1ccccc1Cc1ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27NO2/c27-24(28)21-9-5-13-26(17-21)22-11-12-25(16-22)15-20-8-2-1-6-18(20)14-19-7-3-4-10-23(19)25/h1-4,6-10,22H,5,11-17H2,(H,27,28)/t22?,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SKOALCKWENTDHG-NRWPOFLRSA-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: PT01019, 5-hydroxytryptamine receptor 2B
Protein ID: PT00939, 5-hydroxytryptamine receptor 2C
Protein ID: PT01206, Histamine H1 receptor