General Information of the Compound
| Compound ID |
CP0409722
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10479788, Example 38
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25N7O
|
||||||||||||||||||
| Molecular Weight |
403.49
|
||||||||||||||||||
| Canonical SMILES |
CCN(CC)c1nccc2cnc(Nc3ccc(cc3OC)-c3cnn(C)c3)nc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25N7O/c1-5-29(6-2)21-20-16(9-10-23-21)12-24-22(27-20)26-18-8-7-15(11-19(18)30-4)17-13-25-28(3)14-17/h7-14H,5-6H2,1-4H3,(H,24,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VDRDNFWWLJNATM-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