General Information of the Compound
| Compound ID |
CP0464249
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10479788, Example 34
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20N6O
|
||||||||||||||||||
| Molecular Weight |
408.465
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccnc(-c3ccccc3)c2n1)-c1cnn(C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20N6O/c1-30-15-19(14-27-30)17-8-9-20(21(12-17)31-2)28-24-26-13-18-10-11-25-22(23(18)29-24)16-6-4-3-5-7-16/h3-15H,1-2H3,(H,26,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
VHUFJBBNAXAKDJ-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
Protein ID: PT01348, Dual specificity protein kinase TTK