General Information of the Compound
| Compound ID |
CP0574728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[2-methyl-4-[1-[5-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethylamino]pyrido[3,4-d]pyrimidin-6-yl]oxymethyl]piperidin-2-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H32N6O2S
|
||||||||||||||||||
| Molecular Weight |
516.671
|
||||||||||||||||||
| Canonical SMILES |
CNCc1ccccc1-c1ccc(s1)C(C)Nc1nc(C)nc2cnc(OCC3CCNC(=O)C3)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H32N6O2S/c1-17(24-8-9-25(37-24)21-7-5-4-6-20(21)14-29-3)32-28-22-13-27(31-15-23(22)33-18(2)34-28)36-16-19-10-11-30-26(35)12-19/h4-9,13,15,17,19,29H,10-12,14,16H2,1-3H3,(H,30,35)(H,32,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DKERQUUVPREQSA-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