General Information of the Compound
| Compound ID |
CP0436916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-(2-chlorophenoxy)piperidin-1-ylsulfonyl)-6,9-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H29ClN2O5S
|
||||||||||||||||||
| Molecular Weight |
481.014
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(c(OC)c2CCNCCc12)S(=O)(=O)N1CCC(CC1)Oc1ccccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H29ClN2O5S/c1-29-21-15-22(23(30-2)18-8-12-25-11-7-17(18)21)32(27,28)26-13-9-16(10-14-26)31-20-6-4-3-5-19(20)24/h3-6,15-16,25H,7-14H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPZQTMDWLGZTCJ-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