General Information of the Compound
| Compound ID |
CP0555331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 2.37
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28ClN3O3
|
||||||||||||||||||
| Molecular Weight |
453.97
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C(C)C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28ClN3O3/c1-4-5-22-21(14-23(30)31)24(16(2)3)29(28-22)15-17-6-12-20(13-7-17)27-25(32)18-8-10-19(26)11-9-18/h6-13,16H,4-5,14-15H2,1-3H3,(H,27,32)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJYWSLZHIXSTKM-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