General Information of the Compound
| Compound ID |
CP0186640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[(2S)-1-methylpiperidin-2-yl]-[4-(3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H26N6O
|
||||||||||||||||||
| Molecular Weight |
366.469
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC[C@H]1C(=O)N1CCC(CC1)n1cnc2cnc3[nH]ccc3c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H26N6O/c1-24-9-3-2-4-17(24)20(27)25-10-6-14(7-11-25)26-13-23-16-12-22-19-15(18(16)26)5-8-21-19/h5,8,12-14,17H,2-4,6-7,9-11H2,1H3,(H,21,22)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RFPXHAIJTDKSBT-KRWDZBQOSA-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