General Information of the Compound
| Compound ID |
CP0894655
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Bromophenyl)-(6R*)-N6-(N-tert-butoxycarbonyl-piperidin-4-yl-methyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H36BrN3O4
|
||||||||||||||||||
| Molecular Weight |
558.517
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CNC(=O)[C@H]2[C@H](C(=O)Nc3ccc(Br)cc3)[C@@H]3C=C[C@H]2C32CC2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H36BrN3O4/c1-27(2,3)36-26(35)32-14-10-17(11-15-32)16-30-24(33)22-20-8-9-21(28(20)12-13-28)23(22)25(34)31-19-6-4-18(29)5-7-19/h4-9,17,20-23H,10-16H2,1-3H3,(H,30,33)(H,31,34)/t20-,21+,22-,23-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SBBUIUPRLBAKJF-KAOXLYBCSA-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