General Information of the Compound
| Compound ID |
CP0556313
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(3R)-3-aminopiperidin-1-yl]-7-but-2-ynyl-3-methyl-1-[3-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]propyl]purine-2,6-dione
Show/Hide
|
||||||||||||||||||
| Formula |
C27H38N10O2
|
||||||||||||||||||
| Molecular Weight |
534.669
|
||||||||||||||||||
| Canonical SMILES |
CC#CCn1c(nc2n(C)c(=O)n(CCCN3CCN(CC3)c3ncc(C)cn3)c(=O)c12)N1CCC[C@@H](N)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H38N10O2/c1-4-5-11-36-22-23(31-26(36)35-10-6-8-21(28)19-35)32(3)27(39)37(24(22)38)12-7-9-33-13-15-34(16-14-33)25-29-17-20(2)18-30-25/h17-18,21H,6-16,19,28H2,1-3H3/t21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
VJSXNUMPFSXIGA-OAQYLSRUSA-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 | |||||||||||||||||||
| 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