General Information of the Compound
| Compound ID |
CP0110778
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-acetylpiperazin-1-yl)-4-[[(1R)-1-(4-methoxyphenyl)ethyl]amino]-6-propan-2-yl-5H-pyrrolo[3,4-d]pyrimidin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H32N6O3
|
||||||||||||||||||
| Molecular Weight |
452.559
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H32N6O3/c1-15(2)30-14-20-21(23(30)32)26-24(29-12-10-28(11-13-29)17(4)31)27-22(20)25-16(3)18-6-8-19(33-5)9-7-18/h6-9,15-16H,10-14H2,1-5H3,(H,25,26,27)/t16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOLIQXUWTQNSNR-MRXNPFEDSA-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