General Information of the Compound
| Compound ID |
CP0551869
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dihydroisoindol-2-yl-[2-hydroxy-5-(N-methylanilino)phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H20N2O2
|
||||||||||||||||||
| Molecular Weight |
344.414
|
||||||||||||||||||
| Canonical SMILES |
CN(c1ccccc1)c1ccc(O)c(c1)C(=O)N1Cc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H20N2O2/c1-23(18-9-3-2-4-10-18)19-11-12-21(25)20(13-19)22(26)24-14-16-7-5-6-8-17(16)15-24/h2-13,25H,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTOMMGWZEZPHSO-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