General Information of the Compound
| Compound ID |
CP0485286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(3Z)-6-fluoro-2-methyl-3-[(4-phenoxyphenyl)methylidene]inden-1-yl]acetic acid
Show/Hide
|
||||||||||||||||||
| Formula |
C25H19FO3
|
||||||||||||||||||
| Molecular Weight |
386.422
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(CC(O)=O)c2cc(F)ccc2\C1=C/c1ccc(Oc2ccccc2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H19FO3/c1-16-22(21-12-9-18(26)14-24(21)23(16)15-25(27)28)13-17-7-10-20(11-8-17)29-19-5-3-2-4-6-19/h2-14H,15H2,1H3,(H,27,28)/b22-13-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACURFUCICWUVNA-XKZIYDEJSA-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 | |||||||||||||||||||
| 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