General Information of the Compound
| Compound ID |
CP0850865
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(1-phenyl-1H-pyrazol-5-yl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H23BrN4O2
|
||||||||||||||||||
| Molecular Weight |
503.4
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccnn1-c1ccccc1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H23BrN4O2/c27-16-6-8-17(9-7-16)29-24(32)22-19-10-11-20(26(19)13-14-26)23(22)25(33)30-21-12-15-28-31(21)18-4-2-1-3-5-18/h1-12,15,19-20,22-23H,13-14H2,(H,29,32)(H,30,33)/t19-,20+,22+,23+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XMUYZMGUNOQDSJ-KKSHJYNMSA-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