General Information of the Compound
| Compound ID |
CP0563420
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-chloro-7-(2-fluorophenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H28ClFN6O2
|
||||||||||||||||||
| Molecular Weight |
571.056
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1ccccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H28ClFN6O2/c1-5-25(40)37-12-14-38(15-13-37)29-21-16-23(32)27(20-8-6-7-9-24(20)33)36-30(21)39(31(41)22(29)17-34)28-19(4)10-11-35-26(28)18(2)3/h5-11,16,18H,1,12-15H2,2-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
SLDPJSSOJWLRRP-UHFFFAOYSA-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