General Information of the Compound
| Compound ID |
CP0414556
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9249096, 44
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22Cl2N2O3
|
||||||||||||||||||
| Molecular Weight |
433.335
|
||||||||||||||||||
| Canonical SMILES |
OC1=C(CN(CCc2ccccc2)C1=O)C(=O)NCCCc1ccc(Cl)c(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22Cl2N2O3/c23-18-9-8-16(13-19(18)24)7-4-11-25-21(28)17-14-26(22(29)20(17)27)12-10-15-5-2-1-3-6-15/h1-3,5-6,8-9,13,27H,4,7,10-12,14H2,(H,25,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMUZLGKZOKHVAZ-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