General Information of the Compound
| Compound ID |
CP0414405
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8609647, 16
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N6O
|
||||||||||||||||||
| Molecular Weight |
324.388
|
||||||||||||||||||
| Canonical SMILES |
CC1CN(CC2(CCN2C(=O)CC#N)C1)c1ncnc2[nH]ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N6O/c1-12-8-17(4-7-23(17)14(24)2-5-18)10-22(9-12)16-13-3-6-19-15(13)20-11-21-16/h3,6,11-12H,2,4,7-10H2,1H3,(H,19,20,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MZMDRPCGALXDIS-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