General Information of the Compound
| Compound ID |
CP0499608
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9351973, 15
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C12H11FN4O
|
||||||||||||||||||
| Molecular Weight |
246.245
|
||||||||||||||||||
| Canonical SMILES |
Cc1c2NC(=O)CCn2nc1-c1cncc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C12H11FN4O/c1-7-11(8-4-9(13)6-14-5-8)16-17-3-2-10(18)15-12(7)17/h4-6H,2-3H2,1H3,(H,15,18)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQQKRKWJHJAKOS-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
Protein ID: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial