General Information of the Compound
| Compound ID |
CP0061241
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(6-benzyl-2-pyridin-2-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)piperidin-3-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O
|
||||||||||||||||||
| Molecular Weight |
401.514
|
||||||||||||||||||
| Canonical SMILES |
OC1CCCN(C1)c1nc(nc2CCN(Cc3ccccc3)Cc12)-c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O/c30-19-9-6-13-29(16-19)24-20-17-28(15-18-7-2-1-3-8-18)14-11-21(20)26-23(27-24)22-10-4-5-12-25-22/h1-5,7-8,10,12,19,30H,6,9,11,13-17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OAWCVNZQLRBLAB-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: PT02042, Cystic fibrosis transmembrane conductance regulator