General Information of the Compound
| Compound ID |
CP0351812
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(dimethylamino)-1-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H22N6O
|
||||||||||||||||||
| Molecular Weight |
326.404
|
||||||||||||||||||
| Canonical SMILES |
CN(C)CC(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H22N6O/c1-21(2)10-15(24)22-7-4-12(5-8-22)23-11-20-14-9-19-17-13(16(14)23)3-6-18-17/h3,6,9,11-12H,4-5,7-8,10H2,1-2H3,(H,18,19)
Show/Hide
|
||||||||||||||||||
| InChIKey |
INHVGQWGLDRMDI-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