General Information of the Compound
| Compound ID |
CP0904327
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(2-Isopropoxyphenyl-methyl)-(6R*)-N6-(4-pyrrolidino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41N3O3
|
||||||||||||||||||
| Molecular Weight |
479.665
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Oc1ccccc1CNC(=O)[C@H]1[C@H](C(=O)NCCCCN2CCCC2)[C@H]2C=C[C@@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41N3O3/c1-20(2)35-24-10-4-3-9-21(24)19-31-28(34)26-23-12-11-22(29(23)13-14-29)25(26)27(33)30-15-5-6-16-32-17-7-8-18-32/h3-4,9-12,20,22-23,25-26H,5-8,13-19H2,1-2H3,(H,30,33)(H,31,34)/t22-,23+,25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HHYPFGGNTOKGJH-PZXVYJQKSA-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