General Information of the Compound
| Compound ID |
CP0476298
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cyclobutan-1-ol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H14N2O
|
||||||||||||||||||
| Molecular Weight |
226.279
|
||||||||||||||||||
| Canonical SMILES |
O[C@@H]1CC[C@H]1[C@H]1c2ccccc2-c2cncn12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H14N2O/c17-13-6-5-11(13)14-10-4-2-1-3-9(10)12-7-15-8-16(12)14/h1-4,7-8,11,13-14,17H,5-6H2/t11-,13-,14-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DDMGFAANFODMEJ-MRVWCRGKSA-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
Protein ID: PT01557, Indoleamine 2,3-dioxygenase 1
Protein ID: PT02896, Tryptophan 2,3-dioxygenase