General Information of the Compound
| Compound ID |
CP0387741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl 3-[[1-[3,5-bis(trifluoromethyl)benzoyl]piperidine-3-carbonyl]amino]benzoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H20F6N2O4
|
||||||||||||||||||
| Molecular Weight |
502.411
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)c1cccc(NC(=O)C2CCCN(C2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20F6N2O4/c1-35-21(34)13-4-2-6-18(10-13)30-19(32)14-5-3-7-31(12-14)20(33)15-8-16(22(24,25)26)11-17(9-15)23(27,28)29/h2,4,6,8-11,14H,3,5,7,12H2,1H3,(H,30,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
FNKYEXOHYSZWEZ-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