General Information of the Compound
| Compound ID |
CP0532471
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-bromothiophen-2-yl)-5-(3,4-dimethoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H13BrF3N3O2S
|
||||||||||||||||||
| Molecular Weight |
484.297
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1OC)-c1cc(n2nc(cc2n1)-c1ccc(Br)s1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H13BrF3N3O2S/c1-27-13-4-3-10(7-14(13)28-2)11-8-16(19(21,22)23)26-18(24-11)9-12(25-26)15-5-6-17(20)29-15/h3-9H,1-2H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
TUPIWGXFGQTEAU-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