General Information of the Compound
| Compound ID |
CP0552857
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-N'-[3-fluoro-4-[6-(3-methoxypropoxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]-1-N-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27F2N5O5
|
||||||||||||||||||
| Molecular Weight |
551.55
|
||||||||||||||||||
| Canonical SMILES |
COCCCOc1cn2ncnc(Oc3ccc(NC(=O)C4(CC4)C(=O)Nc4ccc(F)cc4)cc3F)c2c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27F2N5O5/c1-17-23(39-13-3-12-38-2)15-35-24(17)25(31-16-32-35)40-22-9-8-20(14-21(22)30)34-27(37)28(10-11-28)26(36)33-19-6-4-18(29)5-7-19/h4-9,14-16H,3,10-13H2,1-2H3,(H,33,36)(H,34,37)
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJQKSGBLQCLGIU-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