General Information of the Compound
| Compound ID |
CP0188595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[[(1S)-1-[6-chloro-7-(cyclopropylmethoxy)-2-oxo-1H-quinolin-3-yl]ethyl]amino]-1-methyl-6-oxopyridine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H21ClN4O3
|
||||||||||||||||||
| Molecular Weight |
424.888
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](Nc1ccc(C#N)n(C)c1=O)c1cc2cc(Cl)c(OCC3CC3)cc2[nH]c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClN4O3/c1-12(25-18-6-5-15(10-24)27(2)22(18)29)16-7-14-8-17(23)20(30-11-13-3-4-13)9-19(14)26-21(16)28/h5-9,12-13,25H,3-4,11H2,1-2H3,(H,26,28)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWYSDNPPAIJPJV-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