General Information of the Compound
| Compound ID |
CP0258432
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
MLS000114725
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H14FN3O2S
|
||||||||||||||||||
| Molecular Weight |
343.383
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(cc1)-c1nnc(SCC(=O)Nc2ccccc2F)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H14FN3O2S/c1-11-6-8-12(9-7-11)16-20-21-17(23-16)24-10-15(22)19-14-5-3-2-4-13(14)18/h2-9H,10H2,1H3,(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JNNBWVXYAIQVMD-UHFFFAOYSA-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor