General Information of the Compound
| Compound ID |
CP0378356
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[5-methoxy-2-methyl-1-[4-[[(2S)-4-methyl-2,3-dihydro-1,4-benzoxazin-2-yl]methoxy]benzoyl]indol-3-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H28N2O6
|
||||||||||||||||||
| Molecular Weight |
500.551
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2n(C(=O)c3ccc(OC[C@@H]4CN(C)c5ccccc5O4)cc3)c(C)c(CC(O)=O)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H28N2O6/c1-18-23(15-28(32)33)24-14-21(35-3)12-13-25(24)31(18)29(34)19-8-10-20(11-9-19)36-17-22-16-30(2)26-6-4-5-7-27(26)37-22/h4-14,22H,15-17H2,1-3H3,(H,32,33)/t22-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WMUFBYGHMKJROO-QFIPXVFZSA-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
Protein ID: PT02988, Prostaglandin E2 receptor EP1 subtype
Protein ID: PT02989, Prostaglandin E2 receptor EP2 subtype
Protein ID: PT02345, Prostaglandin E2 receptor EP3 subtype
Protein ID: PT02346, Prostaglandin E2 receptor EP4 subtype