General Information of the Compound
| Compound ID |
CP0326285
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-(7-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazin-5-yl)-4-phenoxyphenyl]methanesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N4O4S
|
||||||||||||||||||
| Molecular Weight |
410.455
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c(-c2cc(NS(C)(=O)=O)ccc2Oc2ccccc2)c2cn[nH]c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N4O4S/c1-12-18-16(11-21-23-20(18)25)19(22-12)15-10-13(24-29(2,26)27)8-9-17(15)28-14-6-4-3-5-7-14/h3-11,22,24H,1-2H3,(H,23,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LPQIHHHQRDWFRN-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: PT01462, Bromodomain-containing protein 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000183 | MX-1 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 59 nM
|
TI
LI
LO
TS
|
|
|---|---|---|---|