General Information of the Compound
| Compound ID |
CP0470287
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8618299, 24
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H25N3O2
|
||||||||||||||||||
| Molecular Weight |
411.505
|
||||||||||||||||||
| Canonical SMILES |
O=c1cc(OCc2ccccc2)ccn1-c1ccc2c3C4CCCN4CCc3[nH]c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H25N3O2/c30-25-16-20(31-17-18-5-2-1-3-6-18)10-14-29(25)19-8-9-21-23(15-19)27-22-11-13-28-12-4-7-24(28)26(21)22/h1-3,5-6,8-10,14-16,24,27H,4,7,11-13,17H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
GDZSNXWVJTWWHH-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