General Information of the Compound
| Compound ID |
CP0444709
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[2-[5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazol-4-yl]-7-azaspiro[3.5]non-2-en-7-yl]pyridine-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23Cl2N3O3
|
||||||||||||||||||
| Molecular Weight |
496.394
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1ccc(nc1)N1CCC2(CC(=C2)c2c(onc2-c2c(Cl)cccc2Cl)C2CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23Cl2N3O3/c27-18-2-1-3-19(28)22(18)23-21(24(34-30-23)15-4-5-15)17-12-26(13-17)8-10-31(11-9-26)20-7-6-16(14-29-20)25(32)33/h1-3,6-7,12,14-15H,4-5,8-11,13H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNXPEEGZEYRPOV-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