General Information of the Compound
| Compound ID |
CP0679309
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)(2-fluorobenzyloxy)methyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C30H33FO3
|
||||||||||||||||||
| Molecular Weight |
460.589
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc2c(cc1C(OCc1ccccc1F)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C30H33FO3/c1-19-16-24-25(30(4,5)15-14-29(24,2)3)17-23(19)27(20-10-12-21(13-11-20)28(32)33)34-18-22-8-6-7-9-26(22)31/h6-13,16-17,27H,14-15,18H2,1-5H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UCAUDVYVWVKLSE-UHFFFAOYSA-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