General Information of the Compound
| Compound ID |
CP0440629
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-chloro-2-[1-[(3-methylphenyl)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 |
C27H27ClN2
|
||||||||||||||||||
| Molecular Weight |
414.98
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc(CN2CCC(CC2)=C2c3ccc(Cl)cc3CCc3cccnc23)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H27ClN2/c1-19-4-2-5-20(16-19)18-30-14-11-21(12-15-30)26-25-10-9-24(28)17-23(25)8-7-22-6-3-13-29-27(22)26/h2-6,9-10,13,16-17H,7-8,11-12,14-15,18H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DSPBTRPYPHWECP-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