General Information of the Compound
| Compound ID |
CP0440858
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-(4-ethylpyridin-2-yl)oxypyrazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N4O2
|
||||||||||||||||||
| Molecular Weight |
432.568
|
||||||||||||||||||
| Canonical SMILES |
CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N4O2/c1-5-17-13-14-27-23(15-17)32-26-21(7-3)28-25(20(6-2)29-26)30-24-19-12-10-9-11-18(19)16-22(24)31-8-4/h9-15,22,24H,5-8,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJHDQBSLVVDKTN-LADGPHEKSA-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