General Information of the Compound
| Compound ID |
CP0432807
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-4-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H24N2O5
|
||||||||||||||||||
| Molecular Weight |
456.498
|
||||||||||||||||||
| Canonical SMILES |
CN1C[C@@H](COc2ccc(cc2)C(=O)n2ccc3c(CC(O)=O)cccc23)Oc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H24N2O5/c1-28-16-21(34-25-8-3-2-6-24(25)28)17-33-20-11-9-18(10-12-20)27(32)29-14-13-22-19(15-26(30)31)5-4-7-23(22)29/h2-14,21H,15-17H2,1H3,(H,30,31)/t21-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BTHUBRJFQVQARS-NRFANRHFSA-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