General Information of the Compound
| Compound ID |
CP0391853
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8''-bromospiro[cycloheptane-1,4''-(1'',2'',3'',4''-tetrahydroquinazoline)]-2''-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C14H17BrN2O
|
||||||||||||||||||
| Molecular Weight |
309.207
|
||||||||||||||||||
| Canonical SMILES |
Brc1cccc2c1NC(=O)NC21CCCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C14H17BrN2O/c15-11-7-5-6-10-12(11)16-13(18)17-14(10)8-3-1-2-4-9-14/h5-7H,1-4,8-9H2,(H2,16,17,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YMNSCMXOAZKZDT-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