General Information of the Compound
| Compound ID |
CP0848426
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-methoxy-4-(4-methylpiperazin-1-yl)-5H-pyrimido[5,4-b]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H19N5O
|
||||||||||||||||||
| Molecular Weight |
297.362
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2[nH]c3c(N4CCN(C)CC4)ncnc3c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H19N5O/c1-20-5-7-21(8-6-20)16-15-14(17-10-18-16)12-9-11(22-2)3-4-13(12)19-15/h3-4,9-10,19H,5-8H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KJZUKKVPIULYDH-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
Protein ID: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01711, Histamine H4 receptor