General Information of the Compound
| Compound ID |
CP0440628
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-chloro-2-[1-(pyridin-3-ylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24ClN3
|
||||||||||||||||||
| Molecular Weight |
401.941
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(Cc3cccnc3)CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24ClN3/c26-22-7-8-23-21(15-22)6-5-20-4-2-12-28-25(20)24(23)19-9-13-29(14-10-19)17-18-3-1-11-27-16-18/h1-4,7-8,11-12,15-16H,5-6,9-10,13-14,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZJXUYYNFBBLSG-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