General Information of the Compound
| Compound ID |
CP0376018
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-1-[1-(4-fluorophenyl)sulfonyl-2-methylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN4O2S
|
||||||||||||||||||
| Molecular Weight |
414.506
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)\N=C\c1c(C)n(c2ccccc12)S(=O)(=O)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN4O2S/c1-16-20(15-23-25-13-11-24(2)12-14-25)19-5-3-4-6-21(19)26(16)29(27,28)18-9-7-17(22)8-10-18/h3-10,15H,11-14H2,1-2H3/b23-15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NDCYTSULTKHXSW-HZHRSRAPSA-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