General Information of the Compound
| Compound ID |
CP0851154
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Bromo-10a-ethynyl-3-oxo-3,9,10,10a-tetrahydrophenanthrene-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H10BrNO
|
||||||||||||||||||
| Molecular Weight |
324.177
|
||||||||||||||||||
| Canonical SMILES |
C#CC12C=C(C#N)C(=O)C=C1c1c(Br)cccc1CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H10BrNO/c1-2-17-7-6-11-4-3-5-14(18)16(11)13(17)8-15(20)12(9-17)10-19/h1,3-5,8-9H,6-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZRSIZIJARFCKL-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