General Information of the Compound
| Compound ID |
CP0503764
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8637501, 65
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H23Cl2N3O2
|
||||||||||||||||||
| Molecular Weight |
468.384
|
||||||||||||||||||
| Canonical SMILES |
Cn1c2CCCNCc2c2ccc(cc12)-n1ccc(OCc2ccc(Cl)cc2Cl)cc1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H23Cl2N3O2/c1-29-23-3-2-9-28-14-21(23)20-7-6-18(12-24(20)29)30-10-8-19(13-25(30)31)32-15-16-4-5-17(26)11-22(16)27/h4-8,10-13,28H,2-3,9,14-15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
NJWBXRIMXCXTHY-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