General Information of the Compound
| Compound ID |
CP0480041
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-methyl-4-oxo-7-phenylsulfanyl-N-[(1R,2S)-1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H30N2O2S
|
||||||||||||||||||
| Molecular Weight |
446.616
|
||||||||||||||||||
| Canonical SMILES |
Cn1cc(C(=O)N[C@H]2[C@]3(C)CCC(C3)C2(C)C)c(=O)c2ccc(Sc3ccccc3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H30N2O2S/c1-26(2)17-12-13-27(3,15-17)25(26)28-24(31)21-16-29(4)22-14-19(10-11-20(22)23(21)30)32-18-8-6-5-7-9-18/h5-11,14,16-17,25H,12-13,15H2,1-4H3,(H,28,31)/t17?,25-,27-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MJLVEHGDNFWHFO-XKIQXPFDSA-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: PT00834, Cannabinoid receptor 2