General Information of the Compound
| Compound ID |
CP0561607
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9458135, 29
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20ClN3O2
|
||||||||||||||||||
| Molecular Weight |
405.885
|
||||||||||||||||||
| Canonical SMILES |
CN1C(=O)CCc2cc(ccc12)-c1cncc(CC(=O)Nc2cccc(Cl)c2)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20ClN3O2/c1-27-21-7-5-16(11-17(21)6-8-23(27)29)18-9-15(13-25-14-18)10-22(28)26-20-4-2-3-19(24)12-20/h2-5,7,9,11-14H,6,8,10H2,1H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ROAMWIZUESYNFI-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