General Information of the Compound
| Compound ID |
CP0464959
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[5-chloro-2-[(3-methylsulfonylpyrazolo[3,4-c]pyridin-1-yl)methyl]benzimidazol-1-yl]-1,1,1-trifluoropropan-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16ClF3N6O2S
|
||||||||||||||||||
| Molecular Weight |
472.88
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)c1nn(Cc2nc3cc(Cl)ccc3n2CC(N)C(F)(F)F)c2cnccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16ClF3N6O2S/c1-31(29,30)17-11-4-5-24-7-14(11)28(26-17)9-16-25-12-6-10(19)2-3-13(12)27(16)8-15(23)18(20,21)22/h2-7,15H,8-9,23H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QGYKLINHLDVHLA-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