General Information of the Compound
| Compound ID |
CP0522379
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-(3-(piperidin-1-yl)propoxy)-6-p-tolyl-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H36N2O
|
||||||||||||||||||
| Molecular Weight |
404.598
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)C1CN2CCCC2c2cc(OCCCN3CCCCC3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H36N2O/c1-21-8-10-22(11-9-21)26-20-29-17-5-7-27(29)25-19-23(12-13-24(25)26)30-18-6-16-28-14-3-2-4-15-28/h8-13,19,26-27H,2-7,14-18,20H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SHAFCOFWNARKDQ-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