General Information of the Compound
| Compound ID |
CP0401334
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-(2-(2-(biphenyl-4-yl)-5-methyloxazol-4-yl)ethoxy)naphthalen-1-yl)-2-(2,2,2-trifluoroethoxy)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C33H28F3NO5
|
||||||||||||||||||
| Molecular Weight |
575.583
|
||||||||||||||||||
| Canonical SMILES |
Cc1oc(nc1CCOc1ccc(C[C@H](OCC(F)(F)F)C(O)=O)c2ccccc12)-c1ccc(cc1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C33H28F3NO5/c1-21-28(37-31(42-21)24-13-11-23(12-14-24)22-7-3-2-4-8-22)17-18-40-29-16-15-25(26-9-5-6-10-27(26)29)19-30(32(38)39)41-20-33(34,35)36/h2-16,30H,17-20H2,1H3,(H,38,39)/t30-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MMTVCYJDBFLUQP-PMERELPUSA-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