General Information of the Compound
| Compound ID |
CP0000894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[2-[(5-methoxypyridin-3-yl)amino]-5-[(4-methylsulfonylpiperazin-1-yl)methyl]pyridin-3-yl]-6-methyl-1,3,5-triazin-2-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H27N9O3S
|
||||||||||||||||||
| Molecular Weight |
485.574
|
||||||||||||||||||
| Canonical SMILES |
COc1cncc(Nc2ncc(CN3CCN(CC3)S(C)(=O)=O)cc2-c2nc(C)nc(N)n2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H27N9O3S/c1-14-25-20(28-21(22)26-14)18-8-15(13-29-4-6-30(7-5-29)34(3,31)32)10-24-19(18)27-16-9-17(33-2)12-23-11-16/h8-12H,4-7,13H2,1-3H3,(H,24,27)(H2,22,25,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHZHBEQIRGURAO-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