General Information of the Compound
| Compound ID |
CP0954178
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(3,3-difluoropyrrolidin-1-yl)-5-methyl-2-phenyl-6-(quinolin-6-yl)pyrazolo[1,5-a]pyrimidin-7(4H)-one
Show/Hide
|
||||||||||||||||||
| Formula |
C26H21F2N5O
|
||||||||||||||||||
| Molecular Weight |
457.484
|
||||||||||||||||||
| Canonical SMILES |
Cc1[nH]c2c(N3CCC(F)(F)C3)c(-c3ccccc3)nn2c(=O)c1-c1ccc2ncccc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21F2N5O/c1-16-21(19-9-10-20-18(14-19)8-5-12-29-20)25(34)33-24(30-16)23(32-13-11-26(27,28)15-32)22(31-33)17-6-3-2-4-7-17/h2-10,12,14,30H,11,13,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
ACEAGINWWRNVFB-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 | |||||||||||||||||||
| 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