General Information of the Compound
| Compound ID |
CP0127907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-hydroxypropyl)-2-(1-methyl-2-oxo-3H-benzimidazol-5-yl)benzo[de]isoquinoline-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19N3O4
|
||||||||||||||||||
| Molecular Weight |
401.422
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2ccc(cc2[nH]c1=O)N1C(=O)c2cccc3c(CCCO)ccc(C1=O)c23
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19N3O4/c1-25-19-10-8-14(12-18(19)24-23(25)30)26-21(28)16-6-2-5-15-13(4-3-11-27)7-9-17(20(15)16)22(26)29/h2,5-10,12,27H,3-4,11H2,1H3,(H,24,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OGFBLTYSHLJDTR-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: PT02593, Bromodomain-containing protein 1
Protein ID: PT01462, Bromodomain-containing protein 4
Protein ID: PT02995, Peregrin
Protein ID: PT03307, Transcription initiation factor TFIID subunit 1