General Information of the Compound
| Compound ID |
CP0864610
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(4-Acetyl-thiazol-2-yl)-(6R*)-N6-(4-pyrrolidino-butyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N4O3S
|
||||||||||||||||||
| Molecular Weight |
456.612
|
||||||||||||||||||
| Canonical SMILES |
CC(=O)c1csc(NC(=O)[C@H]2[C@H](C(=O)NCCCCN3CCCC3)[C@H]3C=C[C@@H]2C32CC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N4O3S/c1-15(29)18-14-32-23(26-18)27-22(31)20-17-7-6-16(24(17)8-9-24)19(20)21(30)25-10-2-3-11-28-12-4-5-13-28/h6-7,14,16-17,19-20H,2-5,8-13H2,1H3,(H,25,30)(H,26,27,31)/t16-,17+,19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CQOJQYSMCQPGKR-PIKOESSRSA-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