General Information of the Compound
| Compound ID |
CP0387919
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[3-[[2-chloro-4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]amino]phenyl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23ClN2O5
|
||||||||||||||||||
| Molecular Weight |
466.921
|
||||||||||||||||||
| Canonical SMILES |
CN1C[C@@H](COc2ccc(C(=O)Nc3cccc(CC(O)=O)c3)c(Cl)c2)Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23ClN2O5/c1-28-14-19(33-23-8-3-2-7-22(23)28)15-32-18-9-10-20(21(26)13-18)25(31)27-17-6-4-5-16(11-17)12-24(29)30/h2-11,13,19H,12,14-15H2,1H3,(H,27,31)(H,29,30)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FMADXGQIHYZRHF-IBGZPJMESA-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: PT02279, Prostacyclin receptor
Protein ID: PT02987, Prostaglandin D2 receptor