General Information of the Compound
| Compound ID |
CP0953841
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-5-methyl-1,3,4-oxadiazole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H19F2N5O3
|
||||||||||||||||||
| Molecular Weight |
439.422
|
||||||||||||||||||
| Canonical SMILES |
Cc1nnc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19F2N5O3/c1-13-27-28-22(31-13)21(30)26-18-10-14(12-25)2-4-19(18)29-8-6-16(7-9-29)32-20-5-3-15(23)11-17(20)24/h2-5,10-11,16H,6-9H2,1H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HOUMYAKMQSDUGU-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