General Information of the Compound
| Compound ID |
CP0562553
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-ethoxyphenyl)-N-hexyl-6,7-dimethoxy-N-methyl-1-oxoisoquinoline-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H34N2O5
|
||||||||||||||||||
| Molecular Weight |
466.578
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCN(C)C(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H34N2O5/c1-6-8-9-10-15-28(3)26(30)23-18-29(19-11-13-20(14-12-19)34-7-2)27(31)22-17-25(33-5)24(32-4)16-21(22)23/h11-14,16-18H,6-10,15H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
UTMQUJSFFQAVKC-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