General Information of the Compound
| Compound ID |
CP0204478
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-cyclopentyloxy-7-methoxy-N-(3-nitrophenyl)-1-phenyl-3,4-dihydroisoquinoline-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C28H27N3O5
|
||||||||||||||||||
| Molecular Weight |
485.54
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2C(=NC(Cc2cc1OC1CCCC1)C(=O)Nc1cccc(c1)[N+]([O-])=O)c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C28H27N3O5/c1-35-25-17-23-19(15-26(25)36-22-12-5-6-13-22)14-24(30-27(23)18-8-3-2-4-9-18)28(32)29-20-10-7-11-21(16-20)31(33)34/h2-4,7-11,15-17,22,24H,5-6,12-14H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IMTDJROOIAERSI-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