General Information of the Compound
Compound ID |
CP0362301
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-7-fluoro-6-[6-(methoxymethyl)pyridin-3-yl]quinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C24H25FN6O2
|
||||||||||||||||||
Molecular Weight |
448.502
|
||||||||||||||||||
Canonical SMILES |
COCc1ccc(cn1)-c1cc2c(N[C@@H](C)c3nn(C)cc3C)c(cnc2cc1F)C(N)=O
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C24H25FN6O2/c1-13-11-31(3)30-22(13)14(2)29-23-18-7-17(15-5-6-16(12-33-4)27-9-15)20(25)8-21(18)28-10-19(23)24(26)32/h5-11,14H,12H2,1-4H3,(H2,26,32)(H,28,29)/t14-/m0/s1
Show/Hide
|
||||||||||||||||||
InChIKey |
KQYCKJMIYOJHEH-AWEZNQCLSA-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