General Information of the Compound
| Compound ID |
CP0487626
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(3-Chloro-phenyl)-4,4-dimethyl-2-trifluoromethyl-1,4-dihydro-2H-benzo[d][1,3]oxazine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H15ClF3NO
|
||||||||||||||||||
| Molecular Weight |
341.76
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)OC(Nc2ccc(cc12)-c1cccc(Cl)c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H15ClF3NO/c1-16(2)13-9-11(10-4-3-5-12(18)8-10)6-7-14(13)22-15(23-16)17(19,20)21/h3-9,15,22H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WCLGFCXIOBIRSU-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