General Information of the Compound
| Compound ID |
CP0467921
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-[3-(dimethylamino)propyl]-6-methoxy-2-(4-methyl-1,4-diazepan-1-yl)-N-(1-methylpiperidin-4-yl)quinazolin-4-amine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H43N7O
|
||||||||||||||||||
| Molecular Weight |
469.678
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(NC3CCN(C)CC3)nc(nc2cc1CCCN(C)C)N1CCCN(C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H43N7O/c1-30(2)11-6-8-20-18-23-22(19-24(20)34-5)25(27-21-9-14-32(4)15-10-21)29-26(28-23)33-13-7-12-31(3)16-17-33/h18-19,21H,6-17H2,1-5H3,(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ONQXWOCNSKDACO-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: PT02221, Histone-lysine N-methyltransferase EHMT1
Protein ID: PT01566, Histone-lysine N-methyltransferase EHMT2