General Information of the Compound
| Compound ID |
CP0300056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US10501467, Example 67
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H19N3O2
|
||||||||||||||||||
| Molecular Weight |
297.358
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)Cc2n(CCO)c3cccc4c3c2c(C1)n[nH]c4=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H19N3O2/c1-17(2)8-11-15-13(9-17)20(6-7-21)12-5-3-4-10(14(12)15)16(22)19-18-11/h3-5,21H,6-9H2,1-2H3,(H,19,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ANTJUZCADLKJBA-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