General Information of the Compound
| Compound ID |
CP0575521
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[(6R)-7-cyano-6-ethyl-5-propan-2-yl-6H-imidazo[1,5-f]pteridin-3-yl]amino]-2-fluoro-5-methoxy-N-(1-methylazetidin-3-yl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H30FN9O2
|
||||||||||||||||||
| Molecular Weight |
519.585
|
||||||||||||||||||
| Canonical SMILES |
CC[C@H]1N(C(C)C)c2nc(Nc3cc(F)c(cc3OC)C(=O)NC3CN(C)C3)ncc2-n2cnc(C#N)c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H30FN9O2/c1-6-20-23-19(9-28)30-13-35(23)21-10-29-26(33-24(21)36(20)14(2)3)32-18-8-17(27)16(7-22(18)38-5)25(37)31-15-11-34(4)12-15/h7-8,10,13-15,20H,6,11-12H2,1-5H3,(H,31,37)(H,29,32,33)/t20-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LZDAATYWWSHULX-HXUWFJFHSA-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