General Information of the Compound
| Compound ID |
CP0410577
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8853206, 27
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H36N5O3+
|
||||||||||||||||||
| Molecular Weight |
454.595
|
||||||||||||||||||
| Canonical SMILES |
CCOCc1cc(cc(c1)C(C)(C)C)C(=O)C[n+]1nc(N)n2nc(OC(CC)CC)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H36N5O3/c1-7-20(8-2)33-22-10-11-23-29(28-24(26)30(23)27-22)15-21(31)18-12-17(16-32-9-3)13-19(14-18)25(4,5)6/h10-14,20H,7-9,15-16H2,1-6H3,(H2,26,28)/q+1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VGTMDJPMPUCFFC-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