General Information of the Compound
| Compound ID |
CP0415906
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3,3-dimethylbutyl 5-[(2,5-dihydroxyphenyl)methylamino]-2-hydroxybenzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H25NO5
|
||||||||||||||||||
| Molecular Weight |
359.422
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)CCOC(=O)c1cc(NCc2cc(O)ccc2O)ccc1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H25NO5/c1-20(2,3)8-9-26-19(25)16-11-14(4-6-18(16)24)21-12-13-10-15(22)5-7-17(13)23/h4-7,10-11,21-24H,8-9,12H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQHPIGQZXWZJOH-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