General Information of the Compound
| Compound ID |
CP0713568
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID7973739
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H11BrN2O
|
||||||||||||||||||
| Molecular Weight |
303.159
|
||||||||||||||||||
| Canonical SMILES |
O=C(/C=C/Nc1ccccc1Br)c1ccccn1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H11BrN2O/c15-11-5-1-2-6-12(11)17-10-8-14(18)13-7-3-4-9-16-13/h1-10,17H/b10-8+
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJCVLWYPAHRUPD-CSKARUKUSA-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: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06033, Microphthalmia-associated transcription factor