General Information of the Compound
| Compound ID |
CP0692604
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Lithium salt of 2-(2,4-dichloro-benzoylamino)-5-quinolin-8-yl-benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H13Cl2LiN2O3
|
||||||||||||||||||
| Molecular Weight |
443.215
|
||||||||||||||||||
| Canonical SMILES |
O=C(Nc1ccc(-c2cccc3cccnc23)cc1C(=O)[O-])c1ccc(Cl)cc1Cl.[Li+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H14Cl2N2O3.Li/c24-15-7-8-17(19(25)12-15)22(28)27-20-9-6-14(11-18(20)23(29)30)16-5-1-3-13-4-2-10-26-21(13)16;/h1-12H,(H,27,28)(H,29,30);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
OHPPPRHCTLUFPZ-UHFFFAOYSA-M
|
||||||||||||||||||
| 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