Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LA91DB
|
|||
| Ligand Name |
[2-[(6~{r})-2-(3-Methylsulfonylphenyl)-6-Propan-2-Yl-4,6-Dihydropyrrolo[3,4-C]pyrazol-5-Yl]-4-(Trifluoromethyl)pyrimidin-5-Yl]methanol
|
|||
| Synonyms |
CHEMBL3932169; [2-[(6~{r})-2-(3-Methylsulfonylphenyl)-6-Propan-2-Yl-4,6-Dihydropyrrolo[3,4-C]pyrazol-5-Yl]-4-(Trifluoromethyl)pyrimidin-5-Yl]methanol; BDBM50192756; Q27456596; 6Y4
Click to Show/Hide
|
|||
| Structure |
 |
Download2D MOL |
||
| Formula |
C21H22F3N5O3S
|
|||
| Canonical SMILES |
CC(C)C1C2=NN(C=C2CN1C3=NC=C(C(=N3)C(F)(F)F)CO)C4=CC(=CC=C4)S(=O)(=O)C
|
|||
| InChI |
1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1
|
|||
| InChIKey |
NCZXBZJVJRJUSC-GOSISDBHSA-N
|
|||
| PubChem Compound ID | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.