General Information of the Compound
| Compound ID |
CP0205887
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-amino-N-[2-[[(2,6-difluorobenzoyl)-propylamino]methyl]-3,3,3-trifluoro-2-hydroxypropyl]-1-(4-fluorophenyl)pyrazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H23F6N5O3
|
||||||||||||||||||
| Molecular Weight |
543.468
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CC(O)(CNC(=O)c1cnn(c1N)-c1ccc(F)cc1)C(F)(F)F)C(=O)c1c(F)cccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H23F6N5O3/c1-2-10-34(22(37)19-17(26)4-3-5-18(19)27)13-23(38,24(28,29)30)12-32-21(36)16-11-33-35(20(16)31)15-8-6-14(25)7-9-15/h3-9,11,38H,2,10,12-13,31H2,1H3,(H,32,36)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XXAMVCDVWBEALK-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