General Information of the Compound
| Compound ID |
CP0493926
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-ethyl-4-fluoro-N-[5-[1-(2-hydroxy-2-methylpropanoyl)-4-methylpiperidin-4-yl]-1,3,4-thiadiazol-2-yl]indazole-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27FN6O3S
|
||||||||||||||||||
| Molecular Weight |
474.562
|
||||||||||||||||||
| Canonical SMILES |
CCn1ncc2c(F)cc(cc12)C(=O)Nc1nnc(s1)C1(C)CCN(CC1)C(=O)C(C)(C)O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27FN6O3S/c1-5-29-16-11-13(10-15(23)14(16)12-24-29)17(30)25-20-27-26-18(33-20)22(4)6-8-28(9-7-22)19(31)21(2,3)32/h10-12,32H,5-9H2,1-4H3,(H,25,27,30)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SEEMGOZGWDILNT-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