General Information of the Compound
| Compound ID |
CP0446868
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H24F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
443.495
|
||||||||||||||||||
| Canonical SMILES |
CCCn1cc(c(C)n1)S(=O)(=O)N[C@H](C)c1nc2ccc(cc2n1CC)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H24F3N5O2S/c1-5-9-26-11-17(12(3)24-26)30(28,29)25-13(4)18-23-15-8-7-14(19(20,21)22)10-16(15)27(18)6-2/h7-8,10-11,13,25H,5-6,9H2,1-4H3/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWVZUTSNVCDNKP-CYBMUJFWSA-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