General Information of the Compound
| Compound ID |
CP0255556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(cyclohexylmethyl)-1-(1H-pyrrolo[2,3-f]quinolin-1-yl)propan-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N3
|
||||||||||||||||||
| Molecular Weight |
321.468
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H](Cn1ccc2ccc3ncccc3c12)NCC1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N3/c1-16(23-14-17-6-3-2-4-7-17)15-24-13-11-18-9-10-20-19(21(18)24)8-5-12-22-20/h5,8-13,16-17,23H,2-4,6-7,14-15H2,1H3/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKHUJGFKHHPASV-INIZCTEOSA-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