General Information of the Compound
| Compound ID |
CP0516587
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-3-[4-[4-(trifluoromethyl)phenyl]triazol-1-yl]-1H-pyrrole-2-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H20F3N5O2
|
||||||||||||||||||
| Molecular Weight |
479.462
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)c1[nH]c(cc1-n1cc(nn1)-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C1=CCNCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H20F3N5O2/c26-25(27,28)19-7-5-18(6-8-19)21-14-33(32-31-21)22-13-20(30-23(22)24(34)35)17-3-1-15(2-4-17)16-9-11-29-12-10-16/h1-9,13-14,29-30H,10-12H2,(H,34,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DYUKGOFXCBQLMI-UHFFFAOYSA-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