General Information of the Compound
| Compound ID |
CP0947243
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(4-(4-(2,2,2-trifluoroethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
411.409
|
||||||||||||||||||
| Canonical SMILES |
O=C(c1cnn(-c2nc3ccsc3c(=O)[nH]2)c1)N1CCC(CC(F)(F)F)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16F3N5O2S/c18-17(19,20)7-10-1-4-24(5-2-10)15(27)11-8-21-25(9-11)16-22-12-3-6-28-13(12)14(26)23-16/h3,6,8-10H,1-2,4-5,7H2,(H,22,23,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AMGAKLURRURFNI-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