General Information of the Compound
| Compound ID |
CP0911524
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(2-(3,4-Dimethoxyphenyl)ethyl)-(6R*)-N6-(4-pyrrolidino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H41N3O4
|
||||||||||||||||||
| Molecular Weight |
495.664
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(CCNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H41N3O4/c1-35-23-10-7-20(19-24(23)36-2)11-15-31-28(34)26-22-9-8-21(29(22)12-13-29)25(26)27(33)30-14-3-4-16-32-17-5-6-18-32/h7-10,19,21-22,25-26H,3-6,11-18H2,1-2H3,(H,30,33)(H,31,34)/t21-,22+,25-,26-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIYZFYVOOLIHDQ-USXZWKKNSA-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