General Information of the Compound
| Compound ID |
CP0900931
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-N5-(4-Bromophenyl)-(6R)-N6-(cis-4-(pyrrolidin-1-yl-methyl)-cyclohexyl)-(4S,7R)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C28H36BrN3O2
|
||||||||||||||||||
| Molecular Weight |
526.519
|
||||||||||||||||||
| Canonical SMILES |
O=C(N[C@H]1CC[C@@H](CN2CCCC2)CC1)[C@H]1[C@H](C(=O)Nc2ccc(Br)cc2)[C@@H]2C=C[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36BrN3O2/c29-19-5-9-21(10-6-19)31-27(34)25-23-12-11-22(28(23)13-14-28)24(25)26(33)30-20-7-3-18(4-8-20)17-32-15-1-2-16-32/h5-6,9-12,18,20,22-25H,1-4,7-8,13-17H2,(H,30,33)(H,31,34)/t18-,20+,22-,23+,24-,25-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIHUCTYQQTWJON-MWXQHUHWSA-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 | |||||||||||||||||||
| 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