General Information of the Compound
| Compound ID |
CP0011363
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[[1-(4-chlorophenyl)-2-methylpropan-2-yl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H33ClN6O2
|
||||||||||||||||||
| Molecular Weight |
485.032
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QPDPLVXCWWSXFN-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