General Information of the Compound
| Compound ID |
CP0391331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10479788, Example 175
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H26N8O
|
||||||||||||||||||
| Molecular Weight |
418.505
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1nncn1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H26N8O/c1-22(2,3)12-25-19-18-15(8-9-23-19)11-24-21(28-18)27-16-7-6-14(10-17(16)31-5)20-29-26-13-30(20)4/h6-11,13H,12H2,1-5H3,(H,23,25)(H,24,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VZBGYKSZEPEEDD-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