General Information of the Compound
| Compound ID |
CP0570618
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(2-amino-6-fluorophenyl)-6-chloro-1-[4,6-di(propan-2-yl)pyrimidin-5-yl]-2-oxo-4-(4-prop-2-enoylpiperazin-1-yl)-1,8-naphthyridine-3-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H32ClFN8O2
|
||||||||||||||||||
| Molecular Weight |
615.113
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ncnc(C(C)C)c1-n1c2nc(c(Cl)cc2c(N2CCN(CC2)C(=O)C=C)c(C#N)c1=O)-c1c(N)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H32ClFN8O2/c1-6-24(43)40-10-12-41(13-11-40)29-19-14-21(33)28(25-22(34)8-7-9-23(25)36)39-31(19)42(32(44)20(29)15-35)30-26(17(2)3)37-16-38-27(30)18(4)5/h6-9,14,16-18H,1,10-13,36H2,2-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QHUBNSPYEJDRRB-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