General Information of the Compound
| Compound ID |
CP0553976
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(2S,5R)-4-[bis(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]-5-methyl-6-oxo-1,5-naphthyridine-2-carbonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H27F2N5O
|
||||||||||||||||||
| Molecular Weight |
499.565
|
||||||||||||||||||
| Canonical SMILES |
C[C@@H]1CN([C@@H](C)CN1C(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(=O)n(C)c2ccc(nc12)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H27F2N5O/c1-18-17-36(29(20-4-8-22(30)9-5-20)21-6-10-23(31)11-7-21)19(2)16-35(18)26-14-27(37)34(3)25-13-12-24(15-32)33-28(25)26/h4-14,18-19,29H,16-17H2,1-3H3/t18-,19+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
XKXKEJGUONTNBW-RBUKOAKNSA-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: PT04465, Diacylglycerol kinase alpha
Protein ID: PT04672, Diacylglycerol kinase zeta