General Information of the Compound
| Compound ID |
CP0466155
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[4-[[4-(2-pyridin-3-yloxyethyl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H42Cl2N2O5
|
||||||||||||||||||
| Molecular Weight |
617.614
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.OC(=O)CCc1ccc(OCc2ccc(CN3CCC4(CC3)CC(CCOc3cccnc3)CCO4)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H40N2O5.2ClH/c36-32(37)12-9-26-7-10-30(11-8-26)39-25-29-5-3-28(4-6-29)24-35-18-15-33(16-19-35)22-27(14-21-40-33)13-20-38-31-2-1-17-34-23-31;;/h1-8,10-11,17,23,27H,9,12-16,18-22,24-25H2,(H,36,37);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
BHOWGNHDMDOGNC-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