General Information of the Compound
| Compound ID |
CP0471692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[[9-cyclopentyl-2-(6-methoxypyridin-3-yl)-6-morpholin-4-ylpurin-8-yl]methyl-methylamino]-N-hydroxypyrimidine-5-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H32N10O4
|
||||||||||||||||||
| Molecular Weight |
560.619
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C3CCCC3)c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H32N10O4/c1-35(27-29-14-18(15-30-27)26(38)34-39)16-20-31-22-24(36-9-11-41-12-10-36)32-23(17-7-8-21(40-2)28-13-17)33-25(22)37(20)19-5-3-4-6-19/h7-8,13-15,19,39H,3-6,9-12,16H2,1-2H3,(H,34,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JQQZLJTUVRLOKB-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