General Information of the Compound
| Compound ID |
CP0542704
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
9-fluoro-2-phenyl-3,6-dihydro-1,3,6-triaza-cyclopenta[l]phenanthren-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H12FN3O
|
||||||||||||||||||
| Molecular Weight |
329.334
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccc2c3[nH]c(nc3c3cc[nH]c(=O)c3c2c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H12FN3O/c21-12-6-7-13-15(10-12)16-14(8-9-22-20(16)25)18-17(13)23-19(24-18)11-4-2-1-3-5-11/h1-10H,(H,22,25)(H,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RKEVLNISIKYNSD-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