General Information of the Compound
| Compound ID |
CP0081993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(1S)-1-[[5-chloro-2-(2-chlorophenoxy)pyridine-3-carbonyl]amino]ethyl]benzoic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H16Cl2N2O4
|
||||||||||||||||||
| Molecular Weight |
431.275
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](NC(=O)c1cc(Cl)cnc1Oc1ccccc1Cl)c1ccc(cc1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H16Cl2N2O4/c1-12(13-6-8-14(9-7-13)21(27)28)25-19(26)16-10-15(22)11-24-20(16)29-18-5-3-2-4-17(18)23/h2-12H,1H3,(H,25,26)(H,27,28)/t12-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUBQUXYQEPLYRU-LBPRGKRZSA-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