General Information of the Compound
| Compound ID |
CP0145056
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-3-(4-((5-sec-butyl-3-(2,6-dichlorophenyl)isoxazol-4-yl)methoxy)-2-chlorostyryl)benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H24Cl3NO4
|
||||||||||||||||||
| Molecular Weight |
556.873
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H](C)c1onc(c1COc1ccc(\C=C\c2cccc(c2)C(O)=O)c(Cl)c1)-c1c(Cl)cccc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H24Cl3NO4/c1-3-17(2)28-22(27(33-37-28)26-23(30)8-5-9-24(26)31)16-36-21-13-12-19(25(32)15-21)11-10-18-6-4-7-20(14-18)29(34)35/h4-15,17H,3,16H2,1-2H3,(H,34,35)/b11-10+/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QVIHYKVCLQHDII-DVQDXYAYSA-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