General Information of the Compound
| Compound ID |
CP0952727
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Piperazin-1-yl-2-pyridin-4-yl-6,7,8,9-tetrahydro-5H-10-thia-1,3-diaza-benzo[a]azulene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N5S
|
||||||||||||||||||
| Molecular Weight |
365.506
|
||||||||||||||||||
| Canonical SMILES |
c1cc(-c2nc(N3CCNCC3)c3c4c(sc3n2)CCCCC4)ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N5S/c1-2-4-15-16(5-3-1)26-20-17(15)19(25-12-10-22-11-13-25)23-18(24-20)14-6-8-21-9-7-14/h6-9,22H,1-5,10-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVPZJMVATHFKNC-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