General Information of the Compound
| Compound ID |
CP0712128
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-Methyl-2-[[[5-[[6-methyl-3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-3-isothiazolyl]methyl](2,2,2-trifluoroethyl)amino]-1-propanol Hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H24ClF3N8OS
|
||||||||||||||||||
| Molecular Weight |
516.981
|
||||||||||||||||||
| Canonical SMILES |
Cc1cn2c(-c3cn[nH]c3)cnc2c(Nc2cc(CN(CC(F)(F)F)C(C)(C)CO)ns2)n1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23F3N8OS.ClH/c1-12-8-31-15(13-5-25-26-6-13)7-24-18(31)17(27-12)28-16-4-14(29-33-16)9-30(10-20(21,22)23)19(2,3)11-32;/h4-8,32H,9-11H2,1-3H3,(H,25,26)(H,27,28);1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
MVSJDIKQVYOMNC-UHFFFAOYSA-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