General Information of the Compound
| Compound ID |
CP0952737
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromophenyl-methyl)-(6R*)-N6-(3-(aminomethyl)phenyl-methyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28BrN3O2
|
||||||||||||||||||
| Molecular Weight |
494.433
|
||||||||||||||||||
| Canonical SMILES |
NCc1cccc(CNC(=O)[C@H]2[C@H](C(=O)NCc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28BrN3O2/c27-19-6-4-16(5-7-19)14-29-24(31)22-20-8-9-21(26(20)10-11-26)23(22)25(32)30-15-18-3-1-2-17(12-18)13-28/h1-9,12,20-23H,10-11,13-15,28H2,(H,29,31)(H,30,32)/t20-,21+,22+,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQGFLBGVHFBMBH-WBADGQHESA-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