General Information of the Compound
| Compound ID |
CP0871313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(5R*)-N5-(5-Bromo-thiazol-2-yl)-(6R*)-N6-(3-(1H-benzoimidazol-2-yl)-propyl)-(4S*,7R*)-[4,7-ethenylene-spiro[2.4]heptane]-5,6-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H24BrN5O2S
|
||||||||||||||||||
| Molecular Weight |
526.46
|
||||||||||||||||||
| Canonical SMILES |
O=C(NCCCc1nc2ccccc2[nH]1)[C@H]1[C@H](C(=O)Nc2ncc(Br)s2)[C@@H]2C=C[C@H]1C21CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24BrN5O2S/c25-17-12-27-23(33-17)30-22(32)20-14-8-7-13(24(14)9-10-24)19(20)21(31)26-11-3-6-18-28-15-4-1-2-5-16(15)29-18/h1-2,4-5,7-8,12-14,19-20H,3,6,9-11H2,(H,26,31)(H,28,29)(H,27,30,32)/t13-,14+,19-,20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JDEITZSZOREJHC-RYMBOPBQSA-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