General Information of the Compound
| Compound ID |
CP0551108
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8993586, 14
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30N6O2
|
||||||||||||||||||
| Molecular Weight |
422.533
|
||||||||||||||||||
| Canonical SMILES |
CCC1=CC(=CC2C=NNC12)C(=O)N1CCC2(CC1)Cc1cnn(C(C)C)c1C(=O)N2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30N6O2/c1-4-15-9-16(10-17-12-24-27-19(15)17)22(31)28-7-5-23(6-8-28)11-18-13-25-29(14(2)3)20(18)21(30)26-23/h9-10,12-14,17,19,27H,4-8,11H2,1-3H3,(H,26,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WINCVVXFDFYYCF-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