General Information of the Compound
| Compound ID |
CP0390228
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-cyano-N-[(4-fluorophenyl)methyl]-N-[[(2S)-1-methyl-5-oxopyrrolidin-2-yl]methyl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20FN3O3S
|
||||||||||||||||||
| Molecular Weight |
401.463
|
||||||||||||||||||
| Canonical SMILES |
CN1[C@H](CN(Cc2ccc(F)cc2)S(=O)(=O)c2cccc(c2)C#N)CCC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20FN3O3S/c1-23-18(9-10-20(23)25)14-24(13-15-5-7-17(21)8-6-15)28(26,27)19-4-2-3-16(11-19)12-22/h2-8,11,18H,9-10,13-14H2,1H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWRAVKHTEUVIEA-SFHVURJKSA-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