General Information of the Compound
| Compound ID |
CP0455908
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(4-carboxybutanoyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H32N2O8
|
||||||||||||||||||
| Molecular Weight |
560.603
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)CCCC(=O)N1CC(Oc2c(NC(=O)c3ccc(OCCCCc4ccccc4)cc3)cccc12)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H32N2O8/c34-27(13-7-14-28(35)36)33-20-26(31(38)39)41-29-24(11-6-12-25(29)33)32-30(37)22-15-17-23(18-16-22)40-19-5-4-10-21-8-2-1-3-9-21/h1-3,6,8-9,11-12,15-18,26H,4-5,7,10,13-14,19-20H2,(H,32,37)(H,35,36)(H,38,39)
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJAVSSKFTCSRBJ-UHFFFAOYSA-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: PT01800, Cysteinyl leukotriene receptor 1
Protein ID: PT03053, Cysteinyl leukotriene receptor 2