General Information of the Compound
| Compound ID |
CP0902293
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-[(3-(1-methyl-1H-benzoimidazol-2-yl)-propionylamino)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H29BrN4O2
|
||||||||||||||||||
| Molecular Weight |
533.47
|
||||||||||||||||||
| Canonical SMILES |
Cn1c(CCC(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)nc2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H29BrN4O2/c1-33-23-5-3-2-4-22(23)32-24(33)12-13-25(34)30-16-19-20-10-11-21(28(20)14-15-28)26(19)27(35)31-18-8-6-17(29)7-9-18/h2-11,19-21,26H,12-16H2,1H3,(H,30,34)(H,31,35)/t19-,20-,21+,26+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HBPJTPDUIJDSTH-YRKFHGTDSA-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