General Information of the Compound
| Compound ID |
CP0393128
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Acetic acid 7-methoxy-4-(2-phenyl-cyclopropylamino)-quinazolin-6-yl ester
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H19N3O3
|
||||||||||||||||||
| Molecular Weight |
349.39
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2ncnc(NC3CC3c3ccccc3)c2cc1OC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H19N3O3/c1-12(24)26-19-9-15-16(10-18(19)25-2)21-11-22-20(15)23-17-8-14(17)13-6-4-3-5-7-13/h3-7,9-11,14,17H,8H2,1-2H3,(H,21,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZXXUUYKUUAWFJM-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