General Information of the Compound
| Compound ID |
CP0384579
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[methyl-[8-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]oxyoctyl]amino]ethyl anthracene-9-carboxylate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C38H45NO7
|
||||||||||||||||||
| Molecular Weight |
627.778
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(\C=C\C(=O)OCCCCCCCCN(C)CCOC(=O)c2c3ccccc3cc3ccccc23)cc(OC)c1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C38H45NO7/c1-39(22-24-46-38(41)36-31-17-11-9-15-29(31)27-30-16-10-12-18-32(30)36)21-13-7-5-6-8-14-23-45-35(40)20-19-28-25-33(42-2)37(44-4)34(26-28)43-3/h9-12,15-20,25-27H,5-8,13-14,21-24H2,1-4H3/b20-19+
Show/Hide
|
||||||||||||||||||
| InChIKey |
UBKZGMKMXJGWSA-FMQUCBEESA-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