General Information of the Compound
| Compound ID |
CP0700998
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-(4-tert-butylphenyl)-3-(5-chloro-2-hydroxyphenyl)propane-1,3-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19ClO3
|
||||||||||||||||||
| Molecular Weight |
330.811
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)c1ccc(C(=O)CC(=O)c2cc(Cl)ccc2O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19ClO3/c1-19(2,3)13-6-4-12(5-7-13)17(22)11-18(23)15-10-14(20)8-9-16(15)21/h4-10,21H,11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BGEULKLIKKJDIZ-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3