General Information of the Compound
| Compound ID |
CP0353291
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-amino-2-anilino-5-(4-fluorobenzoyl)-N-(4-methoxyphenyl)thiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20FN3O3S
|
||||||||||||||||||
| Molecular Weight |
461.518
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(NC(=O)c2c(N)c(sc2Nc2ccccc2)C(=O)c2ccc(F)cc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20FN3O3S/c1-32-19-13-11-18(12-14-19)28-24(31)20-21(27)23(22(30)15-7-9-16(26)10-8-15)33-25(20)29-17-5-3-2-4-6-17/h2-14,29H,27H2,1H3,(H,28,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRIUTABKNFQHSH-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: PT06124, Paired box protein Pax-8