General Information of the Compound
| Compound ID |
CP0014161
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl)furan-2-yl]methylidene]propanedinitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N6O
|
||||||||||||||||||
| Molecular Weight |
382.427
|
||||||||||||||||||
| Canonical SMILES |
N#CC(=Cc1ccc(o1)-c1nc2cnc3[nH]ccc3c2n1C1CCCCC1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N6O/c23-11-14(12-24)10-16-6-7-19(29-16)22-27-18-13-26-21-17(8-9-25-21)20(18)28(22)15-4-2-1-3-5-15/h6-10,13,15H,1-5H2,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GBYCPXROHVGSKM-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 | |||||||||||||||||||