General Information of the Compound
| Compound ID |
CP0000560
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[(5-fluoro-6-methoxypyridin-3-yl)amino]-5-[2-(4-methylsulfonylpiperazin-1-yl)propan-2-yl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H30FN9O3S
|
||||||||||||||||||
| Molecular Weight |
531.618
|
||||||||||||||||||
| Canonical SMILES |
COc1ncc(Nc2ncc(cc2-c2nc(C)nc(N)n2)C(C)(C)N2CCN(CC2)S(C)(=O)=O)cc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H30FN9O3S/c1-14-28-20(31-22(25)29-14)17-10-15(23(2,3)32-6-8-33(9-7-32)37(5,34)35)12-26-19(17)30-16-11-18(24)21(36-4)27-13-16/h10-13H,6-9H2,1-5H3,(H,26,30)(H2,25,28,29,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DZRQGNOLDZNGKA-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