General Information of the Compound
| Compound ID |
CP0566082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-fluoro-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H17FN4O2S
|
||||||||||||||||||
| Molecular Weight |
372.425
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(nn1Cc1cc(F)cc2sc(nc12)N1CCC=CC1)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H17FN4O2S/c1-11-7-14(17(24)25)21-23(11)10-12-8-13(19)9-15-16(12)20-18(26-15)22-5-3-2-4-6-22/h2-3,7-9H,4-6,10H2,1H3,(H,24,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HRFUJPYFYAKIDD-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