General Information of the Compound
| Compound ID |
CP0850623
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-{[(cyclopentyl-carbonyl)-amino]-methyl}-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H27BrN2O2
|
||||||||||||||||||
| Molecular Weight |
443.385
|
||||||||||||||||||
| Canonical SMILES |
O=C(NC[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1)C1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27BrN2O2/c24-15-5-7-16(8-6-15)26-22(28)20-17(13-25-21(27)14-3-1-2-4-14)18-9-10-19(20)23(18)11-12-23/h5-10,14,17-20H,1-4,11-13H2,(H,25,27)(H,26,28)/t17-,18-,19+,20+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
STHGOBBIGPVVNN-ZRNYENFQSA-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