General Information of the Compound
| Compound ID |
CP0948513
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4aR,10bS)-1,5,5-trimethyl-3-oxo-2-propan-2-yl-4a,10b-dihydro-2H-chromeno[3,4-b][1,4]oxazine-9-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H22N2O3
|
||||||||||||||||||
| Molecular Weight |
314.385
|
||||||||||||||||||
| Canonical SMILES |
CC(C)[C@@H]1C(=O)O[C@@H]2[C@H](c3cc(C#N)ccc3OC2(C)C)N1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H22N2O3/c1-10(2)14-17(21)22-16-15(20(14)5)12-8-11(9-19)6-7-13(12)23-18(16,3)4/h6-8,10,14-16H,1-5H3/t14-,15+,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOADWEVCMFSXPV-OWCLPIDISA-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