General Information of the Compound
| Compound ID |
CP0964674
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-(5-methyl-4-(3-(trifluoromethyl)pyrrolidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C16H14F3N5O2S
|
||||||||||||||||||
| Molecular Weight |
397.382
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)C2)cnn1-c1nc2ccsc2c(=O)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C16H14F3N5O2S/c1-8-10(14(26)23-4-2-9(7-23)16(17,18)19)6-20-24(8)15-21-11-3-5-27-12(11)13(25)22-15/h3,5-6,9H,2,4,7H2,1H3,(H,21,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QBNSKJSOLRLIFT-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