General Information of the Compound
| Compound ID |
CP0553993
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[[4-(3-methylpyrrolidin-1-yl)-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H18F3N5O
|
||||||||||||||||||
| Molecular Weight |
365.359
|
||||||||||||||||||
| Canonical SMILES |
CC1CCN(C1)c1nc(Nc2ccc(cc2)C(N)=O)ncc1C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H18F3N5O/c1-10-6-7-25(9-10)15-13(17(18,19)20)8-22-16(24-15)23-12-4-2-11(3-5-12)14(21)26/h2-5,8,10H,6-7,9H2,1H3,(H2,21,26)(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
CNMSKBUBZCUNLA-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