General Information of the Compound
| Compound ID |
CP0241714
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[5-(2,4-dichlorophenyl)sulfanyl-2,4-dihydroxyphenyl]-(1,3-dihydroisoindol-2-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H15Cl2NO3S
|
||||||||||||||||||
| Molecular Weight |
432.328
|
||||||||||||||||||
| Canonical SMILES |
Oc1cc(O)c(cc1Sc1ccc(Cl)cc1Cl)C(=O)N1Cc2ccccc2C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H15Cl2NO3S/c22-14-5-6-19(16(23)7-14)28-20-8-15(17(25)9-18(20)26)21(27)24-10-12-3-1-2-4-13(12)11-24/h1-9,25-26H,10-11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
RWYPSUVHSWQWRI-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