General Information of the Compound
| Compound ID |
CP0873891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl-methyl)-(6R*)-N6-(2-dimethylamino-ethyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H28N4O3S
|
||||||||||||||||||
| Molecular Weight |
416.547
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1csc(CNC(=O)[C@H]2[C@H](C(=O)NCCN(C)C)[C@H]3C=C[C@@H]2C32CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H28N4O3S/c1-12(26)15-11-29-16(24-15)10-23-20(28)18-14-5-4-13(21(14)6-7-21)17(18)19(27)22-8-9-25(2)3/h4-5,11,13-14,17-18H,6-10H2,1-3H3,(H,22,27)(H,23,28)/t13-,14+,17-,18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VUCXVPXSPHMSFI-LTCOOKNTSA-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