General Information of the Compound
| Compound ID |
CP0952117
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-N5-(4-Bromo-3-fluorophenyl)-(6R)-N6-(4-pyrrolidino-butyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H31BrFN3O2
|
||||||||||||||||||
| Molecular Weight |
504.444
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCCN1CCCC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)c(F)c2)[C@@H]2C=C[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H31BrFN3O2/c26-19-8-5-16(15-20(19)27)29-24(32)22-18-7-6-17(25(18)9-10-25)21(22)23(31)28-11-1-2-12-30-13-3-4-14-30/h5-8,15,17-18,21-22H,1-4,9-14H2,(H,28,31)(H,29,32)/t17-,18+,21-,22-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GNCLNVZHMVBTLQ-GMQQQROESA-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