General Information of the Compound
| Compound ID |
CP0244234
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-N-[(3-chloro-5-fluorophenyl)methyl]-3-hydroxy-1-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)-2-oxopyrrolidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClFN3O4
|
||||||||||||||||||
| Molecular Weight |
445.878
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)N1CC[C@](O)(C(=O)NCc2cc(F)cc(Cl)c2)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClFN3O4/c1-26-18-4-3-17(10-14(18)2-5-19(26)28)27-7-6-22(31,21(27)30)20(29)25-12-13-8-15(23)11-16(24)9-13/h3-4,8-11,31H,2,5-7,12H2,1H3,(H,25,29)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KZVCOYJMMQJKSI-QFIPXVFZSA-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