General Information of the Compound
| Compound ID |
CP0326879
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501467, Example 47
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14N4O2
|
||||||||||||||||||
| Molecular Weight |
294.314
|
||||||||||||||||||
| Canonical SMILES |
O=C(C1CC1)N1Cc2[nH]c3cccc4c3c2c(C1)n[nH]c4=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14N4O2/c21-15-9-2-1-3-10-13(9)14-11(17-10)6-20(7-12(14)18-19-15)16(22)8-4-5-8/h1-3,8,17H,4-7H2,(H,19,21)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UFCYAFSJOZTJKT-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