General Information of the Compound
| Compound ID |
CP0417886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(2-(bis(4-fluorophenyl)methyl)-4-(2-(pyrrolidin-1-yl)pyridin-4-yl)thiazol-5-yl)acetic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C27H23F2N3O2S
|
||||||||||||||||||
| Molecular Weight |
491.563
|
||||||||||||||||||
| Canonical SMILES |
OC(=O)Cc1sc(nc1-c1ccnc(c1)N1CCCC1)C(c1ccc(F)cc1)c1ccc(F)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H23F2N3O2S/c28-20-7-3-17(4-8-20)25(18-5-9-21(29)10-6-18)27-31-26(22(35-27)16-24(33)34)19-11-12-30-23(15-19)32-13-1-2-14-32/h3-12,15,25H,1-2,13-14,16H2,(H,33,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MWKAFMGLLZSPHJ-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