General Information of the Compound
| Compound ID |
CP0507829
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2,3-dimethylphenyl)-6-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H31N3O3
|
||||||||||||||||||
| Molecular Weight |
457.574
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1Cc2ccc(nc2C1=O)-c1cccc(C)c1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H31N3O3/c1-19-7-6-8-23(20(19)2)24-11-9-21-18-31(28(32)27(21)29-24)22-10-12-25(26(17-22)33-3)34-16-15-30-13-4-5-14-30/h6-12,17H,4-5,13-16,18H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZPJQJEDPZUVWPZ-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