General Information of the Compound
| Compound ID |
CP0372406
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(3-methoxyphenylsulfonyl)-2-(piperazin-1-yl)benzo[d]oxazole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H19N3O4S
|
||||||||||||||||||
| Molecular Weight |
373.434
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)S(=O)(=O)c1cccc2oc(nc12)N1CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H19N3O4S/c1-24-13-4-2-5-14(12-13)26(22,23)16-7-3-6-15-17(16)20-18(25-15)21-10-8-19-9-11-21/h2-7,12,19H,8-11H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JEGFNIPTHRCNHC-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