General Information of the Compound
| Compound ID |
CP0537597
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-fluoro-6-[2-fluoro-6-(methoxymethyl)pyridin-3-yl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F2N6O2
|
||||||||||||||||||
| Molecular Weight |
452.465
|
||||||||||||||||||
| Canonical SMILES |
COCc1ccc(c(F)n1)-c1cc2c(N[C@@H](C)c3ccn(C)n3)c(cnc2cc1F)C(N)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F2N6O2/c1-12(19-6-7-31(2)30-19)28-21-16-8-15(14-5-4-13(11-33-3)29-22(14)25)18(24)9-20(16)27-10-17(21)23(26)32/h4-10,12H,11H2,1-3H3,(H2,26,32)(H,27,28)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
PGGHAVFPFPAMEW-LBPRGKRZSA-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
Protein ID: PT01902, Serine-protein kinase ATM
Protein ID: PT01934, Serine/threonine-protein kinase ATR