General Information of the Compound
| Compound ID |
CP0355168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
azetidin-2-yl-[4-[3-methoxy-4-[[7-(2-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H32N6O3
|
||||||||||||||||||
| Molecular Weight |
512.614
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1Nc1ncc2ccc(-c3ccccc3OC)n2n1)C1CCN(CC1)C(=O)C1CCN1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H32N6O3/c1-37-26-6-4-3-5-22(26)25-10-8-21-18-31-29(33-35(21)25)32-23-9-7-20(17-27(23)38-2)19-12-15-34(16-13-19)28(36)24-11-14-30-24/h3-10,17-19,24,30H,11-16H2,1-2H3,(H,32,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MNUHUBSGVGOPGM-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