General Information of the Compound
| Compound ID |
CP0534791
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[4-[[4-[[4-[2-(3-methylpyrazin-2-yl)oxyethyl]-1-oxa-9-azaspiro[5.5]undecan-9-yl]methyl]phenyl]methoxy]phenyl]propanoic acid;dihydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H43Cl2N3O5
|
||||||||||||||||||
| Molecular Weight |
632.629
|
||||||||||||||||||
| Canonical SMILES |
Cl.Cl.Cc1nccnc1OCCC1CCOC2(CCN(Cc3ccc(COc4ccc(CCC(O)=O)cc4)cc3)CC2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H41N3O5.2ClH/c1-25-32(35-17-16-34-25)39-20-12-27-13-21-41-33(22-27)14-18-36(19-15-33)23-28-2-4-29(5-3-28)24-40-30-9-6-26(7-10-30)8-11-31(37)38;;/h2-7,9-10,16-17,27H,8,11-15,18-24H2,1H3,(H,37,38);2*1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOPDSMVHHJYLBM-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