General Information of the Compound
| Compound ID |
CP0402740
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S,4S)-N-(1-methylcyclopropyl)-9-(4-oxidopyrazin-4-ium-2-yl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H17N5O2
|
||||||||||||||||||
| Molecular Weight |
311.345
|
||||||||||||||||||
| Canonical SMILES |
CC1(CC1)NC(=O)c1nn(c2[C@H]3C[C@H]3Cc12)-c1c[n+]([O-])ccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H17N5O2/c1-16(2-3-16)18-15(22)13-11-7-9-6-10(9)14(11)21(19-13)12-8-20(23)5-4-17-12/h4-5,8-10H,2-3,6-7H2,1H3,(H,18,22)/t9-,10-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DNXVUTQUJANOJO-UWVGGRQHSA-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
Protein ID: PT01298, Cannabinoid receptor 1
Protein ID: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT02333, Cannabinoid receptor 2