General Information of the Compound
| Compound ID |
CP0400715
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-[2-ethyl-4-(phenylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-7-yl]pyrimidin-2-yl]oxy-2,2-dimethylpropanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H28N4O5
|
||||||||||||||||||
| Molecular Weight |
476.533
|
||||||||||||||||||
| Canonical SMILES |
CCC1CN(C(=O)Nc2ccccc2)c2ccc(cc2O1)-c1cnc(OCC(C)(C)C(O)=O)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28N4O5/c1-4-20-15-30(25(33)29-19-8-6-5-7-9-19)21-11-10-17(12-22(21)35-20)18-13-27-24(28-14-18)34-16-26(2,3)23(31)32/h5-14,20H,4,15-16H2,1-3H3,(H,29,33)(H,31,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LTZNOFGRHIPDCT-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: PT02560, Diacylglycerol O-acyltransferase 1
Protein ID: PT02536, Diacylglycerol O-acyltransferase 1