General Information of the Compound
| Compound ID |
CP0572093
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
13-chloro-2-piperidin-4-ylidene-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClN2O
|
||||||||||||||||||
| Molecular Weight |
326.827
|
||||||||||||||||||
| Canonical SMILES |
OC1Cc2cccnc2C(=C2CCNCC2)c2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClN2O/c20-14-3-4-15-16(11-14)17(23)10-13-2-1-7-22-19(13)18(15)12-5-8-21-9-6-12/h1-4,7,11,17,21,23H,5-6,8-10H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UEQNVDYYIWHWNX-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