General Information of the Compound
| Compound ID |
CP0970423
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(3,5-Dimethyl-[1,2,4]triazol-1-yl)-1-[(R)-4-[4-(6-methanesulfonyl-1H-benzoimidazol-2-yl)-2-trifluoromethyl-thiazol-5-yl]-2-methyl-piperazin-1-yl]-ethanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H25F3N8O3S2
|
||||||||||||||||||
| Molecular Weight |
582.634
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C)n(CC(=O)N2CCN(c3sc(C(F)(F)F)nc3-c3nc4ccc(S(C)(=O)=O)cc4[nH]3)C[C@H]2C)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F3N8O3S2/c1-12-10-32(7-8-33(12)18(35)11-34-14(3)27-13(2)31-34)21-19(30-22(38-21)23(24,25)26)20-28-16-6-5-15(39(4,36)37)9-17(16)29-20/h5-6,9,12H,7-8,10-11H2,1-4H3,(H,28,29)/t12-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
SYSKEPYLVQXZET-GFCCVEGCSA-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