General Information of the Compound
| Compound ID |
CP0400203
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-benzyl-5-(4-fluoropiperidin-1-yl)-6,7,8,9-tetrahydro-3H-pyrazolo[3,4-c][2,7]naphthyridin-1-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25FN6
|
||||||||||||||||||
| Molecular Weight |
380.471
|
||||||||||||||||||
| Canonical SMILES |
Nc1n[nH]c2nc(N3CCC(F)CC3)c3CN(Cc4ccccc4)CCc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25FN6/c22-15-6-10-28(11-7-15)21-17-13-27(12-14-4-2-1-3-5-14)9-8-16(17)18-19(23)25-26-20(18)24-21/h1-5,15H,6-13H2,(H3,23,24,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UMVHTJBYCVSGRZ-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: PT05288, Bombesin receptor subtype-3
Protein ID: PT01996, Bombesin receptor subtype-3