General Information of the Compound
| Compound ID |
CP0512239
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8889668, I25
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H18N2O2S
|
||||||||||||||||||
| Molecular Weight |
362.454
|
||||||||||||||||||
| Canonical SMILES |
COc1ccccc1-c1noc(n1)-c1ccc(-c2cscc2C)c(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H18N2O2S/c1-13-10-15(8-9-16(13)18-12-26-11-14(18)2)21-22-20(23-25-21)17-6-4-5-7-19(17)24-3/h4-12H,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
RBSCPVUHCHQDCH-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