General Information of the Compound
| Compound ID |
CP0409404
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[[4-(2-methylsulfonylethylamino)piperidin-1-yl]methyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H33FN8O2S
|
||||||||||||||||||
| Molecular Weight |
576.702
|
||||||||||||||||||
| Canonical SMILES |
CS(=O)(=O)CCNC1CCN(Cc2ccn3ncnc(Nc4ccc5n(Cc6cccc(F)c6)ncc5c4)c23)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H33FN8O2S/c1-41(39,40)14-10-31-25-8-11-36(12-9-25)19-22-7-13-37-28(22)29(32-20-34-37)35-26-5-6-27-23(16-26)17-33-38(27)18-21-3-2-4-24(30)15-21/h2-7,13,15-17,20,25,31H,8-12,14,18-19H2,1H3,(H,32,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XFUGKGRUXXJRJA-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