General Information of the Compound
| Compound ID |
CP0164867
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4168290
Show/Hide
|
||||||||||||||||||
| Formula |
C23H23FN4O3
|
||||||||||||||||||
| Molecular Weight |
422.46
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(cn1)-c1cc2c3n([C@H]4C[C@@H](C4)OC)c(=O)n(C)c3cnc2cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H23FN4O3/c1-27-21-11-26-20-9-19(24)17(13-4-5-14(12-30-2)25-10-13)8-18(20)22(21)28(23(27)29)15-6-16(7-15)31-3/h4-5,8-11,15-16H,6-7,12H2,1-3H3/t15-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
HAYQMMTYYBRDQT-WKILWMFISA-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 | |||||||||||||||||||
| 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
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR