General Information of the Compound
| Compound ID |
CP0386098
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-2-(cyclopropylmethoxy)-3-(4-(2-(2-(4-isopropylphenyl)-5-methyloxazol-4-yl)ethoxy)benzo[b]thiophen-7-yl)propanoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33NO5S
|
||||||||||||||||||
| Molecular Weight |
519.663
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(cc1)-c1nc(CCOc2ccc(C[C@H](OCC3CC3)C(O)=O)c3sccc23)c(C)o1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33NO5S/c1-18(2)21-6-8-22(9-7-21)29-31-25(19(3)36-29)12-14-34-26-11-10-23(28-24(26)13-15-37-28)16-27(30(32)33)35-17-20-4-5-20/h6-11,13,15,18,20,27H,4-5,12,14,16-17H2,1-3H3,(H,32,33)/t27-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QATKKZLWBQDTPI-MHZLTWQESA-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