General Information of the Compound
| Compound ID |
CP0404100
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-(1-chloro-7-methoxynaphthalen-2-yl)isoquinoline
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H14ClNO
|
||||||||||||||||||
| Molecular Weight |
319.791
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2ccc(c(Cl)c2c1)-c1cncc2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H14ClNO/c1-23-15-8-6-13-7-9-17(20(21)18(13)10-15)19-12-22-11-14-4-2-3-5-16(14)19/h2-12H,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
MCOVGPFVWGBXTJ-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: PT03119, Cytochrome P450 11B1, mitochondrial
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial