General Information of the Compound
| Compound ID |
CP0888634
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[3-(3-(4-Chlorophenoxy)propoxy)propyl]azepane hydrogen oxalate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H32ClNO6
|
||||||||||||||||||
| Molecular Weight |
429.941
|
||||||||||||||||||
| Canonical SMILES |
CC1CCCCN(CCCOCCCOc2ccc(Cl)cc2)C1.O=C(O)C(=O)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H30ClNO2.C2H2O4/c1-17-6-2-3-11-21(16-17)12-4-13-22-14-5-15-23-19-9-7-18(20)8-10-19;3-1(4)2(5)6/h7-10,17H,2-6,11-16H2,1H3;(H,3,4)(H,5,6)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HMQDXHJZAVPGHW-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