General Information of the Compound
| Compound ID |
CP0562055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9586948, Example 8
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21N7O2
|
||||||||||||||||||
| Molecular Weight |
391.435
|
||||||||||||||||||
| Canonical SMILES |
Cn1ncc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c1C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H21N7O2/c1-27-18(19(21)28)16(11-24-27)26-20(29)15-4-2-3-14(25-15)13-7-8-22-17(9-13)23-10-12-5-6-12/h2-4,7-9,11-12H,5-6,10H2,1H3,(H2,21,28)(H,22,23)(H,26,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PSTKTFNIVMQLRT-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