General Information of the Compound
| Compound ID |
CP0204778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[[2-fluoro-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propyl]amino]-2,3-dihydroinden-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H29FN4O2
|
||||||||||||||||||
| Molecular Weight |
400.498
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1noc(n1)N1CCC(CC(F)CNc2ccc3CCC(=O)c3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H29FN4O2/c1-14(2)21-25-22(29-26-21)27-9-7-15(8-10-27)11-17(23)13-24-18-5-3-16-4-6-20(28)19(16)12-18/h3,5,12,14-15,17,24H,4,6-11,13H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
PJFKOYKGTDRSHX-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 | |||||||||||||||||||