General Information of the Compound
| Compound ID |
CP0453168
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-(4-carboxy-2-(4-(4-(heptadecylamino)phenyl)-2,4-dioxobutyl)phenoxy)isophthalic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C42H53NO9
|
||||||||||||||||||
| Molecular Weight |
715.884
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCCCCCCCCCCCNc1ccc(cc1)C(=O)CC(=O)Cc1cc(ccc1Oc1cc(cc(c1)C(O)=O)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C42H53NO9/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-43-35-20-17-30(18-21-35)38(45)29-36(44)26-32-24-31(40(46)47)19-22-39(32)52-37-27-33(41(48)49)25-34(28-37)42(50)51/h17-22,24-25,27-28,43H,2-16,23,26,29H2,1H3,(H,46,47)(H,48,49)(H,50,51)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQMSYSXLVCBYLX-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