General Information of the Compound
| Compound ID |
CP0490282
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-[4-(3-chloroanilino)quinazolin-6-yl]-3-(3-nitrophenyl)prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H16ClN5O3
|
||||||||||||||||||
| Molecular Weight |
445.866
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(\C=C\C(=O)Nc2ccc3ncnc(Nc4cccc(Cl)c4)c3c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H16ClN5O3/c24-16-4-2-5-17(12-16)28-23-20-13-18(8-9-21(20)25-14-26-23)27-22(30)10-7-15-3-1-6-19(11-15)29(31)32/h1-14H,(H,27,30)(H,25,26,28)/b10-7+
Show/Hide
|
||||||||||||||||||
| InChIKey |
GTTPNTBBUDXSMN-JXMROGBWSA-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