General Information of the Compound
| Compound ID |
CP0904332
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-N5-(2-Bromopyrid-5-yl)-(6R)-N6-(3-amino-3-oxopropyl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25BrN4O3
|
||||||||||||||||||
| Molecular Weight |
449.349
|
||||||||||||||||||
| Canonical SMILES |
NC(=O)CCNC(=O)[C@H]1[C@H](C(=O)NCc2ccc(Br)nc2)[C@@H]2CC[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25BrN4O3/c21-14-4-1-11(9-24-14)10-25-19(28)17-13-3-2-12(20(13)6-7-20)16(17)18(27)23-8-5-15(22)26/h1,4,9,12-13,16-17H,2-3,5-8,10H2,(H2,22,26)(H,23,27)(H,25,28)/t12-,13+,16-,17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BODXESHAEGUASH-DLTLXFJOSA-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