General Information of the Compound
| Compound ID |
CP0454937
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(3,4-dimethoxyphenyl)-1-[4-[(2-phenylquinazolin-4-yl)amino]phenyl]prop-2-en-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C31H25N3O3
|
||||||||||||||||||
| Molecular Weight |
487.559
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(\C=C\C(=O)c2ccc(Nc3nc(nc4ccccc34)-c3ccccc3)cc2)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C31H25N3O3/c1-36-28-19-13-21(20-29(28)37-2)12-18-27(35)22-14-16-24(17-15-22)32-31-25-10-6-7-11-26(25)33-30(34-31)23-8-4-3-5-9-23/h3-20H,1-2H3,(H,32,33,34)/b18-12+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMWRKDPDPNKJNX-LDADJPATSA-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2