General Information of the Compound
| Compound ID |
CP0002078
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(1S)-1-[(6-amino-5-fluoropyrimidin-4-yl)amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16FN7O
|
||||||||||||||||||
| Molecular Weight |
365.372
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ncnc(N)c1F)c1nn2cccc2c(=O)n1-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16FN7O/c1-11(23-16-14(19)15(20)21-10-22-16)17-24-25-9-5-8-13(25)18(27)26(17)12-6-3-2-4-7-12/h2-11H,1H3,(H3,20,21,22,23)/t11-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RDUCNJJWXRMQAU-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