General Information of the Compound
| Compound ID |
CP0395116
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[5-[5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]butanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F6N5O3
|
||||||||||||||||||
| Molecular Weight |
489.376
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCn1ncc2CN(CCc12)c1noc(n1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F6N5O3/c21-19(22,23)13-6-11(7-14(8-13)20(24,25)26)17-28-18(29-34-17)30-5-3-15-12(10-30)9-27-31(15)4-1-2-16(32)33/h6-9H,1-5,10H2,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WDRCXQAHTKCPJR-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