General Information of the Compound
| Compound ID |
CP0951279
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R)-N5-(5-Bromothiazol-2-yl)-(6R)-N6-(2-methyl-3-hydroxyprop-2-yl)-(4S,7R)-[4,7-ethylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H24BrN3O3S
|
||||||||||||||||||
| Molecular Weight |
442.379
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(CO)NC(=O)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2CC[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H24BrN3O3S/c1-17(2,8-23)22-15(25)13-10-4-3-9(18(10)5-6-18)12(13)14(24)21-16-20-7-11(19)26-16/h7,9-10,12-13,23H,3-6,8H2,1-2H3,(H,22,25)(H,20,21,24)/t9-,10+,12+,13+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGARUQSFQBEOFZ-XKAARJIMSA-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