General Information of the Compound
| Compound ID |
CP0456395
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4R)-N-(1-hydroxy-2-methylpropan-2-yl)-9-pyridin-3-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20N4O2
|
||||||||||||||||||
| Molecular Weight |
312.373
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CO)NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1cccnc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20N4O2/c1-17(2,9-22)19-16(23)14-13-7-10-6-12(10)15(13)21(20-14)11-4-3-5-18-8-11/h3-5,8,10,12,22H,6-7,9H2,1-2H3,(H,19,23)/t10-,12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YXFPVINSZDYPCU-ZYHUDNBSSA-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