General Information of the Compound
| Compound ID |
CP0540861
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1S)-1-(5-fluoropyridin-2-yl)ethyl]-1-(5-methyl-1H-pyrazol-3-yl)-3-propan-2-ylsulfonylpyrrolo[2,3-b]pyridin-6-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23FN6O2S
|
||||||||||||||||||
| Molecular Weight |
442.52
|
||||||||||||||||||
| Canonical SMILES |
CC(C)S(=O)(=O)c1cn(-c2cc(C)[nH]n2)c2nc(N[C@@H](C)c3ccc(F)cn3)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23FN6O2S/c1-12(2)31(29,30)18-11-28(20-9-13(3)26-27-20)21-16(18)6-8-19(25-21)24-14(4)17-7-5-15(22)10-23-17/h5-12,14H,1-4H3,(H,24,25)(H,26,27)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AVPFSEBOPFCRPI-AWEZNQCLSA-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