General Information of the Compound
| Compound ID |
CP0387095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[(3S,4S)-3-hydroxy-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]piperidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O2
|
||||||||||||||||||
| Molecular Weight |
297.358
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)N1CC[C@@H]([C@H]2c3ccccc3-c3cncn23)[C@H](O)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O2/c1-11(21)19-7-6-14(16(22)9-19)17-13-5-3-2-4-12(13)15-8-18-10-20(15)17/h2-5,8,10,14,16-17,22H,6-7,9H2,1H3/t14-,16-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OCKCTGANXPDRPM-DJIMGWMZSA-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