General Information of the Compound
| Compound ID |
CP0549891
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(5,5,8,8-tetramethyl-3-pentoxy-6,7-dihydronaphthalen-2-yl)benzotriazole-5-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H33N3O3
|
||||||||||||||||||
| Molecular Weight |
435.568
|
||||||||||||||||||
| Canonical SMILES |
CCCCCOc1cc2c(cc1-n1nnc3cc(ccc13)C(O)=O)C(C)(C)CCC2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H33N3O3/c1-6-7-8-13-32-23-16-19-18(25(2,3)11-12-26(19,4)5)15-22(23)29-21-10-9-17(24(30)31)14-20(21)27-28-29/h9-10,14-16H,6-8,11-13H2,1-5H3,(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AQLTXYIYODZMDS-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 | |||||||||||||||||||
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