General Information of the Compound
| Compound ID |
CP0850378
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-[(1-ethyl-pyrrolidin-2-yl)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H30BrN3O2
|
||||||||||||||||||
| Molecular Weight |
472.427
|
||||||||||||||||||
| Canonical SMILES |
CCN1CCCC1CNC(=O)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H30BrN3O2/c1-2-28-13-3-4-17(28)14-26-22(29)20-18-9-10-19(24(18)11-12-24)21(20)23(30)27-16-7-5-15(25)6-8-16/h5-10,17-21H,2-4,11-14H2,1H3,(H,26,29)(H,27,30)/t17?,18-,19+,20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NWHTUDUEUNYJSM-JAGQDSLRSA-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: PT00605, FML2_HUMAN
Protein ID: PT02590, N-formyl peptide receptor 2