General Information of the Compound
| Compound ID |
CP0442517
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8802711, 35
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H22N4O
|
||||||||||||||||||
| Molecular Weight |
334.423
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CCC[C@@H](C1)c1ccccc1)Nc1cccc2[nH]ncc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22N4O/c25-20(23-18-10-5-11-19-17(18)13-21-24-19)22-16-9-4-8-15(12-16)14-6-2-1-3-7-14/h1-3,5-7,10-11,13,15-16H,4,8-9,12H2,(H,21,24)(H2,22,23,25)/t15-,16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WKQXTHBIRKOSOW-HOTGVXAUSA-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