General Information of the Compound
| Compound ID |
CP0381145
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(diaminomethylidene)-4-[1-[4-(1,3-oxazol-5-yl)benzoyl]piperidin-4-yl]-3-(trifluoromethyl)benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H22F3N5O3
|
||||||||||||||||||
| Molecular Weight |
485.466
|
||||||||||||||||||
| Canonical SMILES |
NC(=N)NC(=O)c1ccc(C2CCN(CC2)C(=O)c2ccc(cc2)-c2cnco2)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H22F3N5O3/c25-24(26,27)19-11-17(21(33)31-23(28)29)5-6-18(19)14-7-9-32(10-8-14)22(34)16-3-1-15(2-4-16)20-12-30-13-35-20/h1-6,11-14H,7-10H2,(H4,28,29,31,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AAUUVWFQQFOZHJ-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