General Information of the Compound
| Compound ID |
CP0551712
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-1,3-dimethylpyrazole-4-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H20F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
415.441
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(nc2ccc(cc12)C(F)(F)F)[C@@H](C)NS(=O)(=O)c1cn(C)nc1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H20F3N5O2S/c1-5-25-14-8-12(17(18,19)20)6-7-13(14)21-16(25)11(3)23-28(26,27)15-9-24(4)22-10(15)2/h6-9,11,23H,5H2,1-4H3/t11-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
AYLZRUGFUURHLG-LLVKDONJSA-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