General Information of the Compound
| Compound ID |
CP0802369
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9073893, 64
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N4O2
|
||||||||||||||||||
| Molecular Weight |
354.454
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)c1cccc2[nH]n(C3CCN(CC4CC=CCC4)CC3)c(=O)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N4O2/c21-19(25)16-7-4-8-17-18(16)20(26)24(22-17)15-9-11-23(12-10-15)13-14-5-2-1-3-6-14/h1-2,4,7-8,14-15,22H,3,5-6,9-13H2,(H2,21,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MHOBIUHIHRMJRE-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