General Information of the Compound
| Compound ID |
CP0319200
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dihydroisoindol-2-yl-[2,4-dihydroxy-5-[(4-methylphenyl)methyl]phenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H21NO3
|
||||||||||||||||||
| Molecular Weight |
359.425
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(Cc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H21NO3/c1-15-6-8-16(9-7-15)10-19-11-20(22(26)12-21(19)25)23(27)24-13-17-4-2-3-5-18(17)14-24/h2-9,11-12,25-26H,10,13-14H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMPHYNAKUYDKID-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