General Information of the Compound
| Compound ID |
CP0882206
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-1-{[2-Amino-5-(3-methyl-1H-pyrazol-4-yl)-pyridin-3-yl]oxy}ethyl]-4-fluorobenzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16FN5O
|
||||||||||||||||||
| Molecular Weight |
337.358
|
||||||||||||||||||
| Canonical SMILES |
Cc1n[nH]cc1-c1cnc(N)c(O[C@@H](C)c2cc(F)ccc2C#N)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16FN5O/c1-10-16(9-23-24-10)13-5-17(18(21)22-8-13)25-11(2)15-6-14(19)4-3-12(15)7-20/h3-6,8-9,11H,1-2H3,(H2,21,22)(H,23,24)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
JKWWIWXOYXZTPH-NSHDSACASA-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