General Information of the Compound
| Compound ID |
CP0457643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-4-Oxo-1-pentyl-N-(1-phenylethyl)-7-(pyrrolidin-1-yl)-1,4-dihydroquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H33N3O2
|
||||||||||||||||||
| Molecular Weight |
431.58
|
||||||||||||||||||
| Canonical SMILES |
CCCCCn1cc(C(=O)N[C@H](C)c2ccccc2)c(=O)c2ccc(cc12)N1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H33N3O2/c1-3-4-8-17-30-19-24(27(32)28-20(2)21-11-6-5-7-12-21)26(31)23-14-13-22(18-25(23)30)29-15-9-10-16-29/h5-7,11-14,18-20H,3-4,8-10,15-17H2,1-2H3,(H,28,32)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PZISZCAOGDXBMN-HXUWFJFHSA-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