General Information of the Compound
| Compound ID |
CP0109825
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-benzyl-1-methyl-2-[2-(oxan-4-ylamino)pyrimidin-4-yl]-6,7-dihydropyrrolo[3,2-c]pyridin-4-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O2
|
||||||||||||||||||
| Molecular Weight |
417.513
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CCN(Cc3ccccc3)C(=O)c2cc1-c1ccnc(NC2CCOCC2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O2/c1-28-21-8-12-29(16-17-5-3-2-4-6-17)23(30)19(21)15-22(28)20-7-11-25-24(27-20)26-18-9-13-31-14-10-18/h2-7,11,15,18H,8-10,12-14,16H2,1H3,(H,25,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
UQFPBBSPMHMAFE-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