General Information of the Compound
| Compound ID |
CP0474836
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9428500, 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22N4
|
||||||||||||||||||
| Molecular Weight |
366.468
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CC1)c1ccc(cc1)-c1ccc2[nH]c3nccc(C#C)c3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22N4/c1-3-17-10-11-25-24-23(17)21-16-19(6-9-22(21)26-24)18-4-7-20(8-5-18)28-14-12-27(2)13-15-28/h1,4-11,16H,12-15H2,2H3,(H,25,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDRKEUAFMTYBAX-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