General Information of the Compound
| Compound ID |
CP0038906
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-4-(benzyl(1-(methylsulfonyl)pyrrolidin-3-yl)amino)-2-chlorobenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20ClN3O2S
|
||||||||||||||||||
| Molecular Weight |
389.908
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)N1CC[C@@H](C1)N(Cc1ccccc1)c1ccc(C#N)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20ClN3O2S/c1-26(24,25)22-10-9-18(14-22)23(13-15-5-3-2-4-6-15)17-8-7-16(12-21)19(20)11-17/h2-8,11,18H,9-10,13-14H2,1H3/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZHVWBUHPSWVAML-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