General Information of the Compound
| Compound ID |
CP0519381
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[2-(3,6-dihydro-2H-pyridin-1-yl)-6-(dimethylamino)-1,3-benzothiazol-4-yl]methyl]-5-methylpyrazole-3-carboxylic acid
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N5O2S
|
||||||||||||||||||
| Molecular Weight |
397.504
|
||||||||||||||||||
| Canonical SMILES |
CN(C)c1cc(Cn2nc(cc2C)C(O)=O)c2nc(sc2c1)N1CCC=CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N5O2S/c1-13-9-16(19(26)27)22-25(13)12-14-10-15(23(2)3)11-17-18(14)21-20(28-17)24-7-5-4-6-8-24/h4-5,9-11H,6-8,12H2,1-3H3,(H,26,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
HVQAYABWJYEDIT-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