General Information of the Compound
| Compound ID |
CP0317149
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butanoyl]-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-11-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28FN3O3
|
||||||||||||||||||
| Molecular Weight |
461.537
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c(noc2c1)C1CCN(CCCC(=O)c2cc3CCN4c3c(CCC4=O)c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28FN3O3/c28-21-4-5-22-24(16-21)34-29-26(22)17-7-11-30(12-8-17)10-1-2-23(32)20-14-18-3-6-25(33)31-13-9-19(15-20)27(18)31/h4-5,14-17H,1-3,6-13H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LFATXWJLBURBCJ-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