General Information of the Compound
| Compound ID |
CP0970574
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-((R)-2-methyl-4-[4-[6-(oxetan-3-yloxy)-1H-benzoimidazol-2-yl]-2-trifluoromethyl-thiazol-5-yl]-piperazin-1-yl]-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F3N8O3S
|
||||||||||||||||||
| Molecular Weight |
576.605
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(OC5COC5)cc4[nH]3)C[C@H]2C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N8O3S/c1-13-9-34(6-7-35(13)20(37)10-36-15(3)29-14(2)33-36)23-21(32-24(40-23)25(26,27)28)22-30-18-5-4-16(8-19(18)31-22)39-17-11-38-12-17/h4-5,8,13,17H,6-7,9-12H2,1-3H3,(H,30,31)/t13-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OXSJVEPSPDNXAP-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 | |||||||||||||||||||
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