General Information of the Compound
| Compound ID |
CP0522907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,5R)-1-[(2S)-2-amino-2-cyclohexylacetyl]-5-ethynylpyrrolidine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H21N3O
|
||||||||||||||||||
| Molecular Weight |
259.353
|
||||||||||||||||||
| Canonical SMILES |
N[C@@H](C1CCCCC1)C(=O)N1[C@H](CC[C@H]1C#N)C#C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H21N3O/c1-2-12-8-9-13(10-16)18(12)15(19)14(17)11-6-4-3-5-7-11/h1,11-14H,3-9,17H2/t12-,13-,14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FRGISDJQXAKTDV-IHRRRGAJSA-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