General Information of the Compound
| Compound ID |
CP0192524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9a-butyl-7-hydroxy-3-oxo-2,3,9,9a-tetrahydro-1H-fluorene-4-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19NO2
|
||||||||||||||||||
| Molecular Weight |
281.355
|
||||||||||||||||||
| Canonical SMILES |
CCCCC12Cc3cc(O)ccc3C1=C(C#N)C(=O)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19NO2/c1-2-3-7-18-8-6-16(21)15(11-19)17(18)14-5-4-13(20)9-12(14)10-18/h4-5,9,20H,2-3,6-8,10H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZBWHGLHMTURFIN-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