General Information of the Compound
| Compound ID |
CP0534818
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[(3-carboxy-5-methylpyrazol-1-yl)methyl]-2-(3,6-dihydro-2H-pyridin-1-yl)-1,3-benzothiazole-6-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O4S
|
||||||||||||||||||
| Molecular Weight |
398.444
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(nn1Cc1cc(cc2sc(nc12)N1CCC=CC1)C(O)=O)C(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O4S/c1-11-7-14(18(26)27)21-23(11)10-13-8-12(17(24)25)9-15-16(13)20-19(28-15)22-5-3-2-4-6-22/h2-3,7-9H,4-6,10H2,1H3,(H,24,25)(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GCQXBDBBBMJKGR-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