General Information of the Compound
| Compound ID |
CP0309365
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[4-(3-methylanilino)-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-6-yl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N6O2
|
||||||||||||||||||
| Molecular Weight |
460.582
|
||||||||||||||||||
| Canonical SMILES |
CN1CCN(CCCOc2cc3ncnc(Nc4cccc(C)c4)c3cc2NC(=O)C=C)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N6O2/c1-4-25(33)30-23-16-21-22(27-18-28-26(21)29-20-8-5-7-19(2)15-20)17-24(23)34-14-6-9-32-12-10-31(3)11-13-32/h4-5,7-8,15-18H,1,6,9-14H2,2-3H3,(H,30,33)(H,27,28,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
YGLXIEDANXSHCZ-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