General Information of the Compound
| Compound ID |
CP0396917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2R,4R)-9-(2,4-difluorophenyl)-N-[(1R,2R,4S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene-7-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27F2N3O
|
||||||||||||||||||
| Molecular Weight |
411.496
|
||||||||||||||||||
| Canonical SMILES |
C[C@@]12CC[C@@H](C1)C(C)(C)[C@@H]2NC(=O)c1nn(c2[C@@H]3C[C@@H]3Cc12)-c1ccc(F)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27F2N3O/c1-23(2)13-6-7-24(3,11-13)22(23)27-21(30)19-16-9-12-8-15(12)20(16)29(28-19)18-5-4-14(25)10-17(18)26/h4-5,10,12-13,15,22H,6-9,11H2,1-3H3,(H,27,30)/t12-,13+,15-,22+,24-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OADZFRLWRRTMDX-HTERXRQYSA-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