General Information of the Compound
| Compound ID |
CP0515764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-[2-(4-cyanophenyl)-5-methyl-3-oxo-2,3-dihydro-1H-pyrazol-4-yl]-6,6-dimethyl-1-phenyl-3-(trifluoromethyl)-3,5,6,7-tetrahydro-1H-indole-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H23F3N4O3
|
||||||||||||||||||
| Molecular Weight |
520.511
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]n(-c2ccc(cc2)C#N)c(=O)c1C1(C(=O)N(C2=C1C(=O)CC(C)(C)C2)c1ccccc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H23F3N4O3/c1-16-22(24(37)35(33-16)19-11-9-17(15-32)10-12-19)27(28(29,30)31)23-20(13-26(2,3)14-21(23)36)34(25(27)38)18-7-5-4-6-8-18/h4-12,33H,13-14H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
WQJOSKIUUNBYRH-UHFFFAOYSA-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
Protein ID: PT05659, Very long chain fatty acid elongase 3
Protein ID: PT06084, Very long chain fatty acid elongase 6