General Information of the Compound
| Compound ID |
CP0958528
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromo-phenyl)-(6R*)-6-[(3-(3,5-dimethyl-pyrazol-1-yl)-propionylamino)-methyl]-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H29BrN4O2
|
||||||||||||||||||
| Molecular Weight |
497.437
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(C)n(CCC(=O)NC[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29BrN4O2/c1-15-13-16(2)30(29-15)12-9-22(31)27-14-19-20-7-8-21(25(20)10-11-25)23(19)24(32)28-18-5-3-17(26)4-6-18/h3-8,13,19-21,23H,9-12,14H2,1-2H3,(H,27,31)(H,28,32)/t19-,20-,21+,23+/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IGLCSGFXHNQMED-JFYQVNSESA-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