General Information of the Compound
| Compound ID |
CP0857656
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(2-Chloro-6-fluoro-3-methyl phenyl -methyl)-(6R*)-N6-(4-pyrrolidino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H35ClFN3O2
|
||||||||||||||||||
| Molecular Weight |
488.047
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc(F)c(CNC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H35ClFN3O2/c1-17-6-9-21(29)18(24(17)28)16-31-26(34)23-20-8-7-19(27(20)10-11-27)22(23)25(33)30-12-2-3-13-32-14-4-5-15-32/h6-9,19-20,22-23H,2-5,10-16H2,1H3,(H,30,33)(H,31,34)/t19-,20+,22-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KCROTBHDNXBDMW-IRMYBRCSSA-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