General Information of the Compound
| Compound ID |
CP0446428
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
[1-(3,4-dichlorophenyl)-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]-(3,4-dimethoxyphenyl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H22Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
481.379
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)C(=O)N1CCc2c([nH]c3ccccc23)C1c1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H22Cl2N2O3/c1-32-22-10-8-16(14-23(22)33-2)26(31)30-12-11-18-17-5-3-4-6-21(17)29-24(18)25(30)15-7-9-19(27)20(28)13-15/h3-10,13-14,25,29H,11-12H2,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMRWUKOSTIFBRE-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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2