General Information of the Compound
| Compound ID |
CP0490244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9409915, 110
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18Cl2N6
|
||||||||||||||||||
| Molecular Weight |
401.301
|
||||||||||||||||||
| Canonical SMILES |
Cn1nc(c(Cl)c1-c1nc2nc(cnc2[nH]1)-c1ccccc1Cl)C(C)(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18Cl2N6/c1-19(2,3)15-13(21)14(27(4)26-15)16-24-17-18(25-16)23-12(9-22-17)10-7-5-6-8-11(10)20/h5-9H,1-4H3,(H,22,23,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XJIQCYIDNWQDPG-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