General Information of the Compound
| Compound ID |
CP0084055
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-[5'-(Adamant-1-yl)-2-chloro-4'-[(2-methoxyethoxy)methoxy]-2'-methylbiphenyl-4-yl]acrylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H35ClO5
|
||||||||||||||||||
| Molecular Weight |
511.058
|
||||||||||||||||||
| Canonical SMILES |
COCCOCOc1cc(C)c(cc1C12CC3CC(CC(C3)C1)C2)-c1ccc(\C=C\C(O)=O)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H35ClO5/c1-19-9-28(36-18-35-8-7-34-2)26(30-15-21-10-22(16-30)12-23(11-21)17-30)14-25(19)24-5-3-20(13-27(24)31)4-6-29(32)33/h3-6,9,13-14,21-23H,7-8,10-12,15-18H2,1-2H3,(H,32,33)/b6-4+
Show/Hide
|
||||||||||||||||||
| InChIKey |
FVDNFTXROHQVTA-GQCTYLIASA-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