General Information of the Compound
| Compound ID |
CP0866443
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-N5-(5-Acetyl-furan-2-yl-methyl)-(6R)-N6-(4-pyrrolidin-1-yl-butyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H37N3O4
|
||||||||||||||||||
| Molecular Weight |
455.599
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1ccc(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3CC[C@@H]2C32CC2)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H37N3O4/c1-17(30)21-9-6-18(33-21)16-28-25(32)23-20-8-7-19(26(20)10-11-26)22(23)24(31)27-12-2-3-13-29-14-4-5-15-29/h6,9,19-20,22-23H,2-5,7-8,10-16H2,1H3,(H,27,31)(H,28,32)/t19-,20+,22-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DUJZREDTQXYCBE-IRMYBRCSSA-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