General Information of the Compound
| Compound ID |
CP0866493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-6-(4-((3-methyl-4-(4-(trifluoromethyl)phenyl)piperazin-1-yl)methyl)-1H-pyrazol-3-yl)-3,4-dihydro-2H-benzo[e][1,3]oxazin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24F3N5O2
|
||||||||||||||||||
| Molecular Weight |
471.483
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)CNC(=O)O3)CCN1c1ccc(C(F)(F)F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24F3N5O2/c1-15-13-31(8-9-32(15)20-5-3-19(4-6-20)24(25,26)27)14-18-12-29-30-22(18)16-2-7-21-17(10-16)11-28-23(33)34-21/h2-7,10,12,15H,8-9,11,13-14H2,1H3,(H,28,33)(H,29,30)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KSCRNYAMFJGPJB-OAHLLOKOSA-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