General Information of the Compound
| Compound ID |
CP0535848
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-chloro-2-(1-cyclobutylpiperidin-4-ylidene)-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25ClN2
|
||||||||||||||||||
| Molecular Weight |
364.92
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC2)C2CCC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClN2/c24-19-8-9-21-18(15-19)7-6-17-3-2-12-25-23(17)22(21)16-10-13-26(14-11-16)20-4-1-5-20/h2-3,8-9,12,15,20H,1,4-7,10-11,13-14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
OBYZXZTZGSQEQS-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