General Information of the Compound
| Compound ID |
CP0669456
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID164339394
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16BrNO3
|
||||||||||||||||||
| Molecular Weight |
374.234
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Br)cc1/C=C/C(=O)c1ccc(NC(C)=O)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16BrNO3/c1-12(21)20-16-7-3-13(4-8-16)17(22)9-5-14-11-15(19)6-10-18(14)23-2/h3-11H,1-2H3,(H,20,21)/b9-5+
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBDZKEQCGYZKQO-WEVVVXLNSA-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: PT06033, Microphthalmia-associated transcription factor
Protein ID: PT06124, Paired box protein Pax-8