General Information of the Compound
| Compound ID |
CP0959237
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
rac-N-(2-(4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)-1-(1-(2,4-dichloro-5-methoxyphenyl)piperidin-4-yl)ethyl)-2-fluoroacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23Cl3F4N4O2
|
||||||||||||||||||
| Molecular Weight |
545.792
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(N2CCC(C(Cn3nc(C(F)(F)F)c(Cl)c3C)NC(=O)CF)CC2)c(Cl)cc1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23Cl3F4N4O2/c1-11-19(24)20(21(26,27)28)30-32(11)10-15(29-18(33)9-25)12-3-5-31(6-4-12)16-8-17(34-2)14(23)7-13(16)22/h7-8,12,15H,3-6,9-10H2,1-2H3,(H,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BNJPIMNSSNKIHY-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