General Information of the Compound
| Compound ID |
CP0491805
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-chloro-2-[1-[(2-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 |
Cc1ncccc1CN1CCC(CC1)=C1c2ccc(Cl)cc2CCc2cccnc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H26ClN3/c1-18-22(5-3-12-28-18)17-30-14-10-19(11-15-30)25-24-9-8-23(27)16-21(24)7-6-20-4-2-13-29-26(20)25/h2-5,8-9,12-13,16H,6-7,10-11,14-15,17H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWYWYAQDLCIHEK-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