General Information of the Compound
| Compound ID |
CP0476786
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[3-[[4-[3-(hydroxymethyl)anilino]-5-methylpyrimidin-2-yl]amino]-5-methylsulfonylphenyl]piperazin-1-yl]ethanol
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H32N6O4S
|
||||||||||||||||||
| Molecular Weight |
512.636
|
||||||||||||||||||
| Canonical SMILES |
Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCN(CCO)CC2)nc1Nc1cccc(CO)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H32N6O4S/c1-18-16-26-25(29-24(18)27-20-5-3-4-19(12-20)17-33)28-21-13-22(15-23(14-21)36(2,34)35)31-8-6-30(7-9-31)10-11-32/h3-5,12-16,32-33H,6-11,17H2,1-2H3,(H2,26,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JXKXLONPZIKKBR-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