General Information of the Compound
| Compound ID |
CP0570977
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,2R,6R,7R)-N-(6-fluoropyridin-2-yl)-5-pyridin-3-yl-3-oxa-4-azatricyclo[5.2.1.02,6]dec-4-ene-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17FN4O2
|
||||||||||||||||||
| Molecular Weight |
352.369
|
||||||||||||||||||
| Canonical SMILES |
Fc1cccc(NC(=O)[C@]23ON=C([C@H]2[C@@H]2CC[C@H]3C2)c2cccnc2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H17FN4O2/c20-14-4-1-5-15(22-14)23-18(25)19-13-7-6-11(9-13)16(19)17(24-26-19)12-3-2-8-21-10-12/h1-5,8,10-11,13,16H,6-7,9H2,(H,22,23,25)/t11-,13+,16-,19-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FDKSPVHSJQFXNH-LHNNODEJSA-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 | |||||||||||||||||||
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