General Information of the Compound
| Compound ID |
CP0903894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(R)-3-(3-((4-(aminomethyl)-6-(trifluoromethyl)pyridin-2-yl)oxy)benzamido)pent-4-ynoic acid hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H17ClF3N3O4
|
||||||||||||||||||
| Molecular Weight |
443.809
|
||||||||||||||||||
| Canonical SMILES |
C#C[C@@H](CC(=O)O)NC(=O)c1cccc(Oc2cc(CN)cc(C(F)(F)F)n2)c1.Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16F3N3O4.ClH/c1-2-13(9-17(26)27)24-18(28)12-4-3-5-14(8-12)29-16-7-11(10-23)6-15(25-16)19(20,21)22;/h1,3-8,13H,9-10,23H2,(H,24,28)(H,26,27);1H/t13-;/m0./s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MAFTYLHXVVVINE-ZOWNYOTGSA-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