General Information of the Compound
| Compound ID |
CP0393518
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-5-methoxy-1-methylindazol-3-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N4O3
|
||||||||||||||||||
| Molecular Weight |
394.475
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(C)nc(NC3CCN(Cc4ccc5OCOc5c4)CC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N4O3/c1-25-19-5-4-17(27-2)12-18(19)22(24-25)23-16-7-9-26(10-8-16)13-15-3-6-20-21(11-15)29-14-28-20/h3-6,11-12,16H,7-10,13-14H2,1-2H3,(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PBLLPQUAEHLXKX-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