General Information of the Compound
| Compound ID |
CP0072880
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8680275, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H26N6O
|
||||||||||||||||||
| Molecular Weight |
414.513
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(-c2ncccn2)c(c1)C(=O)N1CCC2CN(C2C1)c1nc(C)cc(C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H26N6O/c1-15-5-6-19(22-25-8-4-9-26-22)20(11-15)23(31)29-10-7-18-13-30(21(18)14-29)24-27-16(2)12-17(3)28-24/h4-6,8-9,11-12,18,21H,7,10,13-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
COALYLDHKMSPID-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