General Information of the Compound
| Compound ID |
CP0860165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Lithium salt of 3-{methyl-[3-phenyl-3-(4-trifluoromethyl-phenoxy)-propyl]-amino}-propionate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H21F3LiNO3
|
||||||||||||||||||
| Molecular Weight |
387.327
|
||||||||||||||||||
| Canonical SMILES |
CN(CCC(=O)[O-])CCC(Oc1ccc(C(F)(F)F)cc1)c1ccccc1.[Li+]
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H22F3NO3.Li/c1-24(14-12-19(25)26)13-11-18(15-5-3-2-4-6-15)27-17-9-7-16(8-10-17)20(21,22)23;/h2-10,18H,11-14H2,1H3,(H,25,26);/q;+1/p-1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZWFNCQCBPCROQN-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