General Information of the Compound
| Compound ID |
CP0515538
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1,3-dihydroisoindol-2-yl-[2,4-dihydroxy-5-(4-hydroxyphenyl)sulfanylphenyl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H17NO4S
|
||||||||||||||||||
| Molecular Weight |
379.437
|
||||||||||||||||||
| Canonical SMILES |
Oc1ccc(Sc2cc(C(=O)N3Cc4ccccc4C3)c(O)cc2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H17NO4S/c23-15-5-7-16(8-6-15)27-20-9-17(18(24)10-19(20)25)21(26)22-11-13-3-1-2-4-14(13)12-22/h1-10,23-25H,11-12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
LITBTTMUJIFDBE-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