General Information of the Compound
| Compound ID |
CP0570802
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-methoxy-N-[6-[4-[(2S)-1,1,1-trifluoropropan-2-yl]-1,2,4-triazol-3-yl]pyridin-2-yl]pyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C16H14F3N7O2
|
||||||||||||||||||
| Molecular Weight |
393.329
|
||||||||||||||||||
| Canonical SMILES |
COc1ncncc1C(=O)Nc1cccc(n1)-c1nncn1[C@@H](C)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14F3N7O2/c1-9(16(17,18)19)26-8-22-25-13(26)11-4-3-5-12(23-11)24-14(27)10-6-20-7-21-15(10)28-2/h3-9H,1-2H3,(H,23,24,27)/t9-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMELJVPICZIIPB-VIFPVBQESA-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 | |||||||||||||||||||
| 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