General Information of the Compound
| Compound ID |
CP0561068
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 100
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H24ClN3O2
|
||||||||||||||||||
| Molecular Weight |
433.939
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CCNCCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H24ClN3O2/c1-28-23-9-12-27-11-8-22(23)21-7-6-19(14-24(21)28)29-13-10-20(15-25(29)30)31-16-17-2-4-18(26)5-3-17/h2-7,10,13-15,27H,8-9,11-12,16H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YBPBPEWFHFEXKY-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