General Information of the Compound
| Compound ID |
CP0868024
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(5-oxo-hexyl)-(6R*)-N6-(4-pyrrolidin-1-yl-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H39N3O3
|
||||||||||||||||||
| Molecular Weight |
429.605
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)CCCCNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H39N3O3/c1-18(29)8-2-3-13-26-23(30)21-19-9-10-20(25(19)11-12-25)22(21)24(31)27-14-4-5-15-28-16-6-7-17-28/h9-10,19-22H,2-8,11-17H2,1H3,(H,26,30)(H,27,31)/t19-,20+,21+,22+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HJWILZNILADJLW-DXBBTUNJSA-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