General Information of the Compound
| Compound ID |
CP0489579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-chloro-2-[1-[(6-methylpyridin-3-yl)methyl]piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H26ClN3
|
||||||||||||||||||
| Molecular Weight |
415.968
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(CN2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cccnc23)cn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClN3/c1-18-4-5-19(16-29-18)17-30-13-10-20(11-14-30)25-24-9-8-23(27)15-22(24)7-6-21-3-2-12-28-26(21)25/h2-5,8-9,12,15-16H,6-7,10-11,13-14,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEHGTZRFVOZVLJ-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