General Information of the Compound
| Compound ID |
CP0568522
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US11136312, Compound MM-I-43
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H25N7O2
|
||||||||||||||||||
| Molecular Weight |
455.522
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(Cc2nnc(CCc3c[nH]c4ccccc34)n2CCCc2c[nH]cn2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H25N7O2/c33-32(34)21-7-3-5-18(13-21)14-25-30-29-24(31(25)12-4-6-20-16-26-17-28-20)11-10-19-15-27-23-9-2-1-8-22(19)23/h1-3,5,7-9,13,15-17,27H,4,6,10-12,14H2,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXOFADKRDXDBGM-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 | |||||||||||||||||||
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