General Information of the Compound
| Compound ID |
CP0719035
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(7R)-7-(3,4-Dichlorophenyl)-1,4-oxazepan-7-yl]methanol monohydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H16Cl3NO2
|
||||||||||||||||||
| Molecular Weight |
312.624
|
||||||||||||||||||
| Canonical SMILES |
Cl.OC[C@]1(c2ccc(Cl)c(Cl)c2)CCNCCO1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H15Cl2NO2.ClH/c13-10-2-1-9(7-11(10)14)12(8-16)3-4-15-5-6-17-12;/h1-2,7,15-16H,3-6,8H2;1H/t12-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OPTPKUISFYHAGF-YDALLXLXSA-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
Protein ID: PT00884, Sodium-dependent dopamine transporter
Protein ID: PT01026, Sodium-dependent noradrenaline transporter
Protein ID: PT00871, Sodium-dependent serotonin transporter