General Information of the Compound
| Compound ID |
CP0510012
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(2,1,3-benzoxadiazol-4-ylsulfonyl)-6-chloro-8-piperazin-1-yl-2,3-dihydro-1,4-benzoxazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18ClN5O4S
|
||||||||||||||||||
| Molecular Weight |
435.893
|
||||||||||||||||||
| Canonical SMILES |
Clc1cc(N2CCNCC2)c2OCCN(c2c1)S(=O)(=O)c1cccc2nonc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18ClN5O4S/c19-12-10-14(23-6-4-20-5-7-23)18-15(11-12)24(8-9-27-18)29(25,26)16-3-1-2-13-17(16)22-28-21-13/h1-3,10-11,20H,4-9H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
UILFHHHDGMYIKU-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