General Information of the Compound
| Compound ID |
CP0513685
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-[4-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethoxy]-2-methoxyphenyl]-1,3-dimethyl-5H-pyrrolo[3,2-d]pyrimidine-2,4-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H28ClN5O5
|
||||||||||||||||||
| Molecular Weight |
538.004
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(OCC(=O)N2CCN(CC2)c2ccc(Cl)cc2)ccc1-c1cc2n(C)c(=O)n(C)c(=O)c2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H28ClN5O5/c1-30-22-15-21(29-25(22)26(35)31(2)27(30)36)20-9-8-19(14-23(20)37-3)38-16-24(34)33-12-10-32(11-13-33)18-6-4-17(28)5-7-18/h4-9,14-15,29H,10-13,16H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
DOSSCQWVJFOSEF-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