General Information of the Compound
| Compound ID |
CP0385539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(diaminomethylidene)-4-[1-(pyridine-2-carbonyl)piperidin-4-yl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H20F3N5O2
|
||||||||||||||||||
| Molecular Weight |
419.407
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccccn2)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H20F3N5O2/c21-20(22,23)15-11-13(17(29)27-19(24)25)4-5-14(15)12-6-9-28(10-7-12)18(30)16-3-1-2-8-26-16/h1-5,8,11-12H,6-7,9-10H2,(H4,24,25,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFXNQXMRQVGHED-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