General Information of the Compound
| Compound ID |
CP0435473
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-bromo-N-[3-[2-oxo-2-[[2-phenyl-5-(2,4,5-trimethylphenyl)pyrazol-3-yl]amino]ethyl]sulfanylphenyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H28BrN5O2S
|
||||||||||||||||||
| Molecular Weight |
626.58
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)c(cc1C)-c1cc(NC(=O)CSc2cccc(NC(=O)c3cncc(Br)c3)c2)n(n1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H28BrN5O2S/c1-20-12-22(3)28(13-21(20)2)29-16-30(38(37-29)26-9-5-4-6-10-26)36-31(39)19-41-27-11-7-8-25(15-27)35-32(40)23-14-24(33)18-34-17-23/h4-18H,19H2,1-3H3,(H,35,40)(H,36,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BRQKWGBEIKPKER-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