General Information of the Compound
| Compound ID |
CP0576408
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-(2-fluoropyridin-4-yl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyridine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18FN3O2
|
||||||||||||||||||
| Molecular Weight |
351.381
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)[C@@H](C)NC(=O)c1ccc(nc1)-c1ccnc(F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18FN3O2/c1-13(14-4-3-5-17(10-14)26-2)24-20(25)16-6-7-18(23-12-16)15-8-9-22-19(21)11-15/h3-13H,1-2H3,(H,24,25)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HZBPSQIDFQPUKG-CYBMUJFWSA-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: PT01258, cGMP-dependent protein kinase 1
Protein ID: PT00890, Rho-associated protein kinase 2