General Information of the Compound
| Compound ID |
CP0470142
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[3-(5-morpholin-4-ylpent-1-ynyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H26F3N5O2
|
||||||||||||||||||
| Molecular Weight |
533.554
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)C(=O)Nc1cccc(c1)-c1ccnc2c(cnn12)C#CCCCN1CCOCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H26F3N5O2/c30-29(31,32)24-9-4-8-22(18-24)28(38)35-25-10-5-7-21(19-25)26-11-12-33-27-23(20-34-37(26)27)6-2-1-3-13-36-14-16-39-17-15-36/h4-5,7-12,18-20H,1,3,13-17H2,(H,35,38)
Show/Hide
|
||||||||||||||||||
| InChIKey |
SOWMPGHFKGHWIR-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