General Information of the Compound
| Compound ID |
CP0529519
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-Chloro-1-methoxymethyl-9-(4-methyl-piperazin-1-yl)-9,10-dihydro-4-thia-10a-aza-benzo[f]azulene
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24ClN3OS
|
||||||||||||||||||
| Molecular Weight |
377.941
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc2Sc3ccc(Cl)cc3C(Cn12)N1CCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24ClN3OS/c1-21-7-9-22(10-8-21)17-12-23-15(13-24-2)4-6-19(23)25-18-5-3-14(20)11-16(17)18/h3-6,11,17H,7-10,12-13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
AHDOWCJMWQLFRW-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