General Information of the Compound
| Compound ID |
CP0555107
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 104
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H24ClN3O4
|
||||||||||||||||||
| Molecular Weight |
429.904
|
||||||||||||||||||
| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2ccc3OCC(=O)Nc3c2)c2ccc(Cl)cc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24ClN3O4/c1-3-22(4-2)11-17(15-7-5-13(23)9-19(15)30-22)26-21(28)24-14-6-8-18-16(10-14)25-20(27)12-29-18/h5-10,17H,3-4,11-12H2,1-2H3,(H,25,27)(H2,24,26,28)/t17-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QXYNLBPBARXGTA-QGZVFWFLSA-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