General Information of the Compound
| Compound ID |
CP0548380
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[1-(oxan-4-yl)pyrazol-4-yl]-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)pyridin-2-yl]-1H-indole-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28N8O2
|
||||||||||||||||||
| Molecular Weight |
496.575
|
||||||||||||||||||
| Canonical SMILES |
CC(C)n1cnnc1-c1cccc(NC(=O)c2cc3ccc(cc3[nH]2)-c2cnn(c2)C2CCOCC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28N8O2/c1-17(2)34-16-28-33-26(34)22-4-3-5-25(31-22)32-27(36)24-13-19-7-6-18(12-23(19)30-24)20-14-29-35(15-20)21-8-10-37-11-9-21/h3-7,12-17,21,30H,8-11H2,1-2H3,(H,31,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RYQBKOZDZJZMKR-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