General Information of the Compound
| Compound ID |
CP0081215
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]-2-oxo-1H-quinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16N4O3
|
||||||||||||||||||
| Molecular Weight |
324.34
|
||||||||||||||||||
| Canonical SMILES |
O=C(CNC(=O)c1cc(=O)[nH]c2ccccc12)N1CCC[C@H]1C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16N4O3/c18-9-11-4-3-7-21(11)16(23)10-19-17(24)13-8-15(22)20-14-6-2-1-5-12(13)14/h1-2,5-6,8,11H,3-4,7,10H2,(H,19,24)(H,20,22)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KOXPKYHLIKMCPU-NSHDSACASA-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